1-(4-氯苯基)-4,4-二甲基-3-(1,2,4- 三唑-1-基甲基)戊-3-醇 — 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl) pentan-3-ol (CAS No. 107534-96-3)
1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl) pentan-3-ol (CAS No. 107534-96-3)
The NMPA binding 2021 catalogue prohibits this raw material in cosmetic formulas in China.
Regulatory decision and full conditions
- Status
- Prohibited
- Legal role
- Binding rule
- Regulatory summary
- The NMPA binding 2021 catalogue prohibits this raw material in cosmetic formulas in China.
- Conditions and restrictions
- Prohibited in cosmetic product formulas. Verify the cited Chinese source identity and any later NMPA amendment before use.
Substance identity
- Official source name
- 1-(4-氯苯基)-4,4-二甲基-3-(1,2,4- 三唑-1-基甲基)戊-3-醇 — 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl) pentan-3-ol (CAS No. 107534-96-3)
- CAS
- 107534-96-3
- EC
- Not supplied in this source row
- Identity mapping
- standalone:official_nmpa_record
Cross-market snapshot for this identity
Exact linked records currently present in this site. An absent market means no imported exact match, not permission to use the substance.
European Union
1 linked record
Open supporting recordGreat Britain
1 linked record
Open supporting recordNew Zealand
1 linked record
Open supporting recordASEAN
1 linked record
Open supporting recordChina
Current record1 linked record · 1 with specific conditions
Open supporting recordSouth Korea
1 linked record
Open supporting recordBrazil
1 linked record · 1 with specific conditions
Open supporting recordIndia
1 linked record · 1 with specific conditions
Open supporting recordSaudi Arabia
1 linked record
Open supporting recordVerified chemistry for CAS 107534-96-3
Tebuconazole
1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol is a tertiary alcohol that is pentan-3-ol substituted by a 4-chlorophenyl, methyl, methyl, and a 1H-1,2,4-triazol-1-ylmethyl at positions 1, 4, 4 and 3 respectively. It is a tertiary alcohol, a member of triazoles and a member of monochlorobenzenes. — ChEBI
- IUPAC name
- 1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
- Molecular formula
- C16H22ClN3O
- Molecular weight
- 307.82 g/mol
- Exact mass
- 307.1451400 Da
- Monoisotopic mass
- 307.1451400 Da
- XLogP3
- 3.7
- Topological polar surface area
- 50.9 Ų
- Molecular complexity
- 326.0
- Formal charge
- 0
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Covalent units
- 1
Names and synonyms reported to PubChem
16 more reported names
External database identifiers
- ChEBI:CHEBI:83779
- ChEMBL:CHEMBL487186
- EPA DTXSID:DTXSID9032113
- PubMed:23084822
- PubMed:23032757
- PubMed:23008280
- PubMed:22967568
- PubMed:22906850
- PubMed:22885543
- PubMed:22824240
- PubMed:22794797
- PubMed:22788662
- PubMed:22738391
- PubMed:22715691
- PubMed:22715113
Advanced structure statistics
- Defined atom stereocentres
- 0
- Undefined atom stereocentres
- 1
- Defined bond stereocentres
- 0
- Undefined bond stereocentres
- 0
- 3D pharmacophore features
- 7
- 3D rings
- 2
- 3D hydrophobes
- 1
- 3D acceptor features
- 1
- 3D donor features
- 1
- 3D anionic centres
- 0
- 3D cationic centres
- 2
- 3D conformers
- 10
- Effective 3D rotors
- 6.0
Machine-readable structure identifiers
- SMILES
CC(C)(C)C(CCC1=CC=C(C=C1)Cl)(CN2C=NC=N2)O- InChI
InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3- InChIKey
PXMNMQRDXWABCY-UHFFFAOYSA-N
Evidence from additional scientific databases
EMBL-EBI ChEBI
tebuconazole
A racemate composed of equimolar amounts of (R)- and (S)-tebuconazole. A fungicide effective against various smut and bunt diseases in cereals and other field crops.
- conazole fungicide — is a (CHEBI:87067)
- racemate — is a (CHEBI:60911)
- triazole fungicide — is a (CHEBI:87100)
- xenobiotic — has role (CHEBI:35703)
- antifungal agrochemical — has role (CHEBI:86328)
- EC 1.14.13.70 (sterol 14α-demethylase) inhibitor — has role (CHEBI:77884)
- environmental contaminant — has role (CHEBI:78298)
- (R)-tebuconazole — has part (CHEBI:83781)
- (S)-tebuconazole — has part (CHEBI:83780)
- xenobiotic — has role (CHEBI:35703)
- antifungal agrochemical — has role (CHEBI:86328)
- EC 1.14.13.70 (sterol 14α-demethylase) inhibitor — has role (CHEBI:77884)
- environmental contaminant — has role (CHEBI:78298)
- conazole fungicide — is a (CHEBI:87067)
- racemate — is a (CHEBI:60911)
- triazole fungicide — is a (CHEBI:87100)
Additional curated names
Cross-references from this source
- CAS: 107534-96-3 — KEGG COMPOUND
- CAS: 107534-96-3 — ChemIDplus
- REGISTRY_NUMBER: 6686475 — Reaxys
- MANUAL_X_REF: C18489 — KEGG COMPOUND
- MANUAL_X_REF: tebuconazole — Alan Wood's Pesticides
- MANUAL_X_REF: Tebuconazole — Wikipedia
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2015-07-23. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Color/Form: Colorless crystals Source: Hazardous Substances Data Bank (HSDB)
- LogP: log Kow = 3.7 Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: 105 °C Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Colorless solid; [Merck Index] Technical product: White to beige solid; [eChemPortal: ESIS] White powder; [MSDSonline] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Solubility: In water, 36 mg/L at pH 5-9, 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: 0.00000001 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 1.7X10-6 Pa (1.3X10-8 mm Hg) at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Signal: Warning Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H302: Harmful if swallowed [Warning Acute toxicity, oral]; H361d ***: Suspected of damaging the unborn child [Warning Reproductive toxicity]; H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H361 (69.9%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H361d (30.5%): Suspected of damaging the unborn child [Warning Reproductive toxicity]; H400 (69.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410 (69.7%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]; H411 (30.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 419 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H350: May cause cancer [Danger Carcinogenicity]; H360: May damage fertility or the unborn child [Danger Reproductive toxicity]; H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]; H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]; H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]; H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] Source: NITE-CMC
- Precautionary Statement Codes: P203, P260, P264, P270, P273, P280, P308+P316, P318, P319, P391, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H320: Causes eye irritation [Warning Serious eye damage/eye irritation]; H330: Fatal if inhaled [Danger Acute toxicity, inhalation]; H351: Suspected of causing cancer [Warning Carcinogenicity]; H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H371: May cause damage to organs [Warning Specific target organ toxicity, single exposure]; H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] Source: NITE-CMC
- Precautionary Statement Codes: P203, P260, P264, P264+P265, P270, P271, P280, P284, P304+P340, P305+P351+P338, P308+P316, P316, P318, P319, P320, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Environmental Bioconcentration: An estimated BCF of 140 was calculated for tebuconazole(SRC), using a log Kow of 3.7(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC), provided the compound is not metabolized by the organism(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), Koc values ranging from 470 to 6,000(2-4), indicate that tebuconazole is expected to have moderate to no mobility in soil(SRC). Volatilization of tebuconazole from moist soil is not expected to be an important fate process(SRC) given an estimated Henry's Law of 1.4X10-10 atm-cu m/mole derived from its vapor pressure 1.3X10-8 mm Hg(5), and water solubility, 36 mg/L(5). Tebuconazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure. Biodegradation data were not available (SRC, 2006). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), Koc values ranging from 470-6000(2-4), indicate that tebuconazole is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(5) based upon an estimated Henry's Law constant of 1.4X10-10 atm-cu m/mole derived from its vapor pressure, 1.3X10-8 mm Hg(6), and water solubility, 36 mg/L(6). According to a classification scheme(7), an estimated BCF of 140(SRC), from its log Kow of 3.7(6) and a regression-derived equation(8) suggests the potential for bioconcentration in aquatic organisms is high(SRC). Biodegradation data were not available(SRC, 2006). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), tebuconazole, which has a vapor pressure of 1.3x10-8 mm Hg at 20 °C(2) is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase tebuconazole may be removed from the air by wet or dry deposition(SRC). Tebuconazole does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(2). Source: Hazardous Substances Data Bank (HSDB)
- Sources/Uses: Used fungicide for seed treatment or foliar spray on cereal, peanuts, oilseed rape, grapes, pome fruit, stone fruit, and bananas; [HSDB] Used in wood preservatives; [eChemPortal: ESIS] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Industrial Processes with risk of exposure: Farming (Pesticides) [Category: Industry] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: For Tebuconazole (USEPA/OPP Pesticide Code: 128997) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./ Source: Hazardous Substances Data Bank (HSDB)
- Uses: ... Effective seed treatment against bunts, smuts, and Septoria species on cereals. As a foliar spray, it acts against rust, powdery mildew, and leaf and head diseases ... . Source: Hazardous Substances Data Bank (HSDB)
- Uses: Fungicide; For use on cereal, peanuts, oilseed rape, grapes, pome fruit, stone fruit, and Sigatoka on bananas. Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| EMBL-EBI ChEBI | Exact match | 2026-08-31 |
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.
Official source and provenance
- Registered source
- China NMPA banned raw-material catalogues (2021)
- Source reference
- NMPA 2021 Catalogue of Raw Materials Banned for Cosmetics, entry 3
- Source record ID
chemical-3- Source version
- NMPA Announcement No. 74 of 2021, effective 2021-05-26
- Source language
- Chinese with source English/Latin identity
- Translation status
- Official English translation · English translation
- Effective date
- 2021-05-26
- Source updated
- 2021-05-26
- Snapshot checked
- 2026-08-31 14:13 UTC
- Validation method
- pdfplumber tables; exact 1,284 + 109 row counts and contiguous source numbering
- SHA-256
8848aa3e0c7ac5e74f56fc27927336c4fc2e5bc80137da087c2ca9ba2d2c075e
Registered dataset notes
- Dataset coverage
- All 1,284 banned raw materials and 109 banned plant/animal raw materials effective from 26 May 2021
- Authority note
- Binding NMPA catalogues replacing Tables 1 and 2 of the 2015 Technical Specification
How this record fits the market dataset
Status distribution
Condition text is present on 1393 of 1393 current records. An empty condition field is interpreted according to the record type above; it is never converted into an unrestricted-use claim.
China market context
Complete prohibited catalogues plus official-source workflow
Coverage version: NMPA 2021 banned catalogues plus dynamic IECIC List I/List II system current since 2025
All 1,284 banned raw materials and 109 banned plant/animal raw materials, plus the official workflow for the dynamic existing-ingredient inventory, other technical restrictions and new ingredients.
Verification checklist
- Search the current NMPA IECIC List I and List II by Chinese name and identity.
- Check prohibited/restricted and positive lists in the current Safety and Technical Standards.
- Review technical purpose, use history and any monitoring period.
- Confirm Chinese labelling, safety assessment and filing/registration duties.
Official market sources
- China NMPA IECIC dynamic inventoryOfficial NMPA inventory, not a blanket permission or safety decision
- China draft mandatory cosmetic safety standardConsultation draft — not current law and not a substitute for the effective NMPA catalogues
- China NMPA banned raw-material catalogues (2021)Binding NMPA catalogues replacing Tables 1 and 2 of the 2015 Technical Specification
Verification workflow and record completeness
Before using this result in a compliance decision
- Confirm that “1-(4-氯苯基)-4,4-二甲基-3-(1,2,4- 三唑-1-基甲基)戊-3-醇 — 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl) pentan-3-ol (CAS No. 107534-96-3)” and every CAS/EC identifier refer to the material in your supplier specification.
- Search the current NMPA IECIC List I and List II by Chinese name and identity.
- Check prohibited/restricted and positive lists in the current Safety and Technical Standards.
- Review technical purpose, use history and any monitoring period.
- Confirm Chinese labelling, safety assessment and filing/registration duties.
- Document the source version and recheck the regulator before manufacture, notification or market placement.
Fields available in this record
- Official substance nameAvailable
- CASAvailable
- ECNot supplied
- Separate condition textAvailable
- Effective dateAvailable
- Snapshot hash and methodAvailable
Questions this page answers
Stable citation
1-(4-氯苯基)-4,4-二甲基-3-(1,2,4- 三唑-1-基甲基)戊-3-醇 — 1-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl) pentan-3-ol (CAS No. 107534-96-3). NMPA 2021 Catalogue of Raw Materials Banned for Cosmetics, entry 3. China. Source version NMPA Announcement No. 74 of 2021, effective 2021-05-26. CosIng Checker regulatory record: https://cosingchecker.com/regulations/cn/records/11692/
Cite the regulator as the legal authority. This page is a structured evidence index and verification aid, not a substitute for the official text or professional legal assessment.
Interpretation and limits for China
This official record identifies the substance as prohibited for cosmetic use in the stated market scope.
Do not rely on a formulation containing this identity until the cited source, effective date and exact substance match have been verified.
How to interpret the legal role
The cited row forms part of a binding rule or legally incorporated list for this market.
Evidence on this page
- Recorded outcome: Prohibited
- Legal role: Binding rule
- Source version: NMPA Announcement No. 74 of 2021, effective 2021-05-26
- Effective date: 2021-05-26
What it does not prove
IECIC listing is not blanket approval; absence may require the new cosmetic ingredient route, and restrictions are checked separately.
Further authoritative substance research
These sources can add identity, safety, exposure or hazard context. A link is not evidence that the database contains this exact substance, and none of these sources overrides the market decision above.
Cosmetic Ingredient Review safety assessments
Expert Panel conclusions, assessed ingredient groups, use conditions, dates and report documents
Independent expert review considered by FDA; not a government approval or binding market rule
Research this identity at the sourceFDA Global Substance Registration System
UNII identifiers, preferred names, substance types, codes and public substance relationships
Identity registry only; UNII availability does not imply FDA review or approval
Research this identity at the sourceILO/WHO International Chemical Safety Cards
Hazards, symptoms, first aid, storage, incompatibilities and physical properties for covered chemicals
International occupational chemical-safety reference; not cosmetic-use approval
Research this identity at the sourceJapan NITE-CHRIP
Chemical identity, Japanese and foreign legal lists, GHS hazards and exposure-related information
Chemical-management evidence; cosmetic status remains governed by the applicable MHLW standard and market rules
Research this identity at the sourceNIOSH Pocket Guide to Chemical Hazards
REL, PEL, IDLH, properties, exposure routes, symptoms, target organs, first aid and measurement methods for covered workplace chemicals
US occupational-health guidance and limits; not a cosmetic ingredient decision
Research this identity at the sourceOECD eChemPortal
Gateway to authority-owned physical-property, fate, ecotoxicity, toxicity, exposure and GHS records
Discovery gateway; each linked authority remains responsible for its data
Research this identity at the sourceUS EPA CompTox CTX APIs
API key required for importDTXSID identity, experimental and predicted properties, toxicity, bioactivity, exposure and environmental data
Scientific and computational evidence; predictions must remain labelled and do not determine cosmetic legality
Research this identity at the source