Basic information
- CAS
19819-98-8- Standard SMILES
Cc1ccccc1CCO- InChIKey
RUGISKODRCWQNE-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Names & identifiers
- Preferred name
- 2-Methylphenethyl alcohol
- IUPAC
- 2-(2-methylphenyl)ethanol
- English name
- 2-Methylphenethyl alcohol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
2-Methylphenethyl alcohol19819-98-82-(2-Methylphenyl)ethanolBenzeneethanol, 2-methyl-o-Methylphenethyl alcohol2-o-TolylethanolPhenethyl alcohol, o-methyl-2-MethylbenzeneethanolDTXSID1047071UNII-VX8700JGJPVX8700JGJPPEOMOSA
Show more names
peony alcohol2-Methylphenylethanolo-Methylphenylethanol2-methylbenzenethanol2-methyl-benzeneethano2-methyl-Benzeneethanol
EINECS 243-349-6NSC 409882NSC-409882Phenethyl alcohol, 2'-methylAI3-07014J149.931IDTXCID9027071RefChem:88364
Database identifiers
- CAS
19819-98-8- PubChem CID
- 88267
- DTXSID
DTXSID1047071- ChEMBL
CHEMBL3182526- UNII
- VX8700JGJP
- EC Number
- 243-349-6
- Nikkaji
- J149.931I
Properties
Computed structural properties
- XLogP
- 2.3
- 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
Experimental & physicochemical properties
FragrancesFragrance Ingredient (o-Tolylethanol) -> IFRA transparency List
Physicochemical properties
- Melting point
- 1 °C · 1°C
- Boiling point
- 243 · 243-244 °C(lit.)
- Density
- 1.016 g/mL · 1.016 g/mL at 25 °C(lit.)
- vapor pressure
- 1.9 Pa · 1.9Pa at 24℃
- refractive index
- 20 · n20/D 1.535(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.87 · 14.87±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- Odor
- 100 % · at 100.00 %. natural floral rose peony waxy mimosa
- Odor Type
- floral
- Water Solubility
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 99.8% (1510 of 1513) of all reports.
Not Classified
Aggregated GHS information provided per 1513 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, 2-methyl-
Status: Active Update: 13-04-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19284
Benzeneethanol, 2-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesNot Classified
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
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing InformationBenzeneethanol, 2-methyl-: ACTIVE
Applications
Uses2-Methylphenethyl alcohol may be used in chemical synthesis.
Upstream & downstream products
Upstream raw materials
Related reactions
43 records
Compound notes
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