3-Methylbenzeneethanol
Basic information
- CAS
1875-89-4- Standard SMILES
Cc1cccc(CCO)c1- InChIKey
KWHVBVJDKLSOTB-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Methylbenzeneethanol
- IUPAC
- 2-(3-methylphenyl)ethanol
- English name
- 3-Methylphenethyl alcohol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
1875-89-42-(3-Methylphenyl)ethanolBenzeneethanol, 3-methyl-2-m-Tolylethanol3-MethylbenzeneethanolZ8WAA9JXV7DTXSID3062029RefChem:563205DTXCID9035915217-508-52-(m-Tolyl)ethanol3-Methylphenethyl alcohol
Show more names
HAWTHANOL2-(m<hawthorn ethanol3-Methylphenethyl al2-(m-Tolyl)ethanol>3-methyl-benzeneethano3-methyl-Benzeneethanol
2-(3-methylphenyl)ethan-1-olPhenethyl alcohol, m-methyl-MFCD000028962-m-tolyl-ethanolEINECS 217-508-5AI3-05939m-Methylphenethyl alcoholUNII-Z8WAA9JXV7
Database identifiers
- CAS
1875-89-4- PubChem CID
- 74648
- DTXSID
DTXSID3062029- ChEMBL
CHEMBL4585079- UNII
- Z8WAA9JXV7
- EC Number
- 217-508-5
- Nikkaji
- J119.463A
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 90.7
Physicochemical properties
- Boiling point
- 242 · 242-243 °C (lit.)
- Density
- 1.002 g/mL · 1.002 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.529(lit.)
- Flash point
- 229 °F · 229 °F
- storage temp.
- Sealed in dry,Room Temperature
- form
- clear liquid
- pka
- 14.97 · 14.97±0.10(Predicted)
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. floral rose jasmin muguet lilac woody
- Odor Type
- floral
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- InChI=1S/C9H12O/c1-8-3-2-4-9(7-8)5-6-10/h2-4,7,10H,5-6H2,1H3
- InChIKey
- KWHVBVJDKLSOTB-UHFFFAOYSA-N
- SMILES
- C1(CCO)=CC=CC(C)=C1
- LogP
- 2.055 · 2.055 (est)
- CAS DataBase Reference
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, 3-methyl-
Benzeneethanol, 3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzeneethanol, 3-methyl-: Human health tier I assessment
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzeneethanol, 3-methyl-: INACTIVE
Applications
Uses3-Methylphenethyl alcohol (2-(3-methylphenyl) ethanol) is commonly used as fragrance ingredient.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
48 records
Compound notes
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