2-Methyl-4-phenyl-2-butanol
- IUPAC name
- 2-methyl-4-phenylbutan-2-ol
- Molecular formula
- C11H16O
- Molecular weight
- 164.24 g/mol
- Exact mass
- 164.120115130 Da
- XLogP3
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen-bond donors
- 1
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:195767
- ChEMBL:CHEMBL3182328
- EPA DTXSID:DTXSID3021851
- PubMed:22036982
Evidence from additional scientific databases
EMBL-EBI ChEBI
2-methyl-4-phenyl-2-butanol
A tertiary alcohol that is benzene substituted by a 3-hydroxy-3-methylbutyl group.
- Formula
- C11H16O
- Average mass
- 164.248 g/mol
- Monoisotopic mass
- 164.12012 Da
- Formal charge
- 0
- benzenes — is a (CHEBI:22712)
- tertiary alcohol — is a (CHEBI:26878)
- flavouring agent — has role (CHEBI:35617)
- fragrance — has role (CHEBI:48318)
- flavouring agent — has role (CHEBI:35617)
- fragrance — has role (CHEBI:48318)
- benzenes — is a (CHEBI:22712)
- tertiary alcohol — is a (CHEBI:26878)
- 22036982 Source: PubMed
Additional curated names
Cross-references from this source
- CAS: 103-05-9 — NIST Chemistry WebBook
- REGISTRY_NUMBER: 2076770 — Reaxys
- MANUAL_X_REF: 7350 — ChemSpider
- MANUAL_X_REF: FDB008550 — FooDB
- MANUAL_X_REF: HMDB0031866 — HMDB
Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2024-01-22. Retrieved: 2026-08-31. Open source record
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Boiling Point: 144 °C (85 mm Hg) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.960-0.966 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Melting Point: 29 - 30 °C Source: Human Metabolome Database (HMDB)
- Physical Description: Solid Source: Human Metabolome Database (HMDB)
- Physical Description: Colourless liquid; Lily, rose sweetness aroma Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Refractive Index: 1.506-1.512 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Soluble in fats; Slightly soluble in water 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 17.3% (311 of 1797) of reports. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H319 (79.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H412 (79.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 1797 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Reported as not meeting GHS hazard criteria per 311 of 1797 reports by companies.; There are 6 notifications provided by 1486 of 1797 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.