- IUPAC name
- 2-methoxy-4-methyl-1-propan-2-ylbenzene
- Molecular formula
- C11H16O
- Molecular weight
- 164.24 g/mol
- Exact mass
- 164.120115130 Da
- XLogP3
- 3.8
- Topological polar surface area
- 9.2 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
RefChem:4739012-Isopropyl-5-methylanisoleThymol methyl etherO-MethylthymolMethyl thymyl ether1-Isopropyl-2-methoxy-4-methylbenzeneMethyl thymol ether3-Methoxy-p-cymene
16 more reported names
4-Isopropyl-3-methoxytolueneBenzene, 2-methoxy-4-methyl-1-(1-methylethyl)-methylthymol1-Methyl-3-methoxy-4-isopropylbenzeneANISOLE, 2-ISOPROPYL-5-METHYL-FEMA No. 34362-methoxy-4-methyl-1-(propan-2-yl)benzene2-Methoxy-4-methyl-1-(1-methylethyl)benzeneThymol methylthymol Me etherthymyl methyl oxideAI3-034311-isopropyl-2-methoxy-4-methyl-benzene2-Isopropyl-5-methyl-AnisoleVTE0C4390U2-ISO PROPYL-5-METHYLANISOLE
External database identifiers
- ChEBI:CHEBI:167336
- ChEMBL:CHEMBL2424841
- EPA DTXSID:DTXSID5047617
- PubMed:22439877
- PubMed:22333838
- PubMed:22303071
- PubMed:21409720
- PubMed:21108114
- PubMed:20922999
- PubMed:20355025
- PubMed:19731608
- PubMed:18547046
- PubMed:17987493
- PubMed:15742345
- PubMed:12868494
Evidence from additional scientific databases
EMBL-EBI ChEBI
Exact identifier matchCHEBI:167336
Thymol methyl ether
- Formula
- C11H16O
- Average mass
- 164.248 g/mol
- Monoisotopic mass
- 164.12012 Da
- Formal charge
- 0
- monoterpenoid — is a (CHEBI:25409)
- monoterpenoid — is a (CHEBI:25409)
Additional curated names
2-methoxy-4-methyl-1-propan-2-ylbenzene
Cross-references from this source
- CAS: 1076-56-8 — ChemIDplus
- MANUAL_X_REF: 13482 — ChemSpider
- MANUAL_X_REF: HMDB0035989 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Exact identifier match14104
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 214.00 to 216.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 216 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.936-0.940 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: colourless, oily liquid with a warm-spicy rooty herbaceous note Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.504-1.508 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Insoluble in water; Soluble in oils Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: soluble (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Note: This chemical does not meet GHS hazard criteria for 71.1% (133 of 187) of all reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H226 (28.9%): Flammable liquid and vapor [Warning Flammable liquids]; H315 (27.8%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (27.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (27.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 187 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 133 of 187 reports by companies.; There are 5 notifications provided by 54 of 187 reports by companies with hazard statement code(s).; 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)
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.