2-Phenyl-1-propanol
Basic information
- CAS
1123-85-9- Standard SMILES
CC(CO)c1ccccc1- InChIKey
RNDNSYIPLPAXAZ-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
2-Phenyl-1-propanol is a member of benzenes.
Names & identifiers
- Preferred name
- 2-Phenyl-1-propanol
- IUPAC
- 2-phenylpropan-1-ol
- English name
- beta-Methylphenethyl alcohol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
2-Phenylpropan-1-ol2-Phenyl-1-propanol1123-85-9Hydratropic alcoholbeta-Methylphenethyl alcohol2-Phenylpropyl alcoholHydratropyl alcohol1-Hydroxy-2-phenylpropane2-Phenylpropanol-11-Propanol, 2-phenyl-Benzeneethanol, beta-methyl-FEMA No. 2732
Show more names
FEMA 27322-PHENYL PROPYL ALCOHOL3-Bromo-β2-phenylpropan-HYDRATROPAALKOHOLhydratropylalcohol
DTXSID8037756NSC-523227ZYZ88DWUPHENETHYL ALCOHOL, beta-METHYL-DTXCID6017756RefChem:478219214-379-7Benzeneethanol, .beta.-methyl-
Database identifiers
- CAS
1123-85-9- PubChem CID
- 14295
- DTXSID
DTXSID8037756- ChEMBL
CHEMBL2323841- ChEBI
CHEBI:193640- UNII
- 27ZYZ88DWU
- EC Number
- 214-379-7
- Nikkaji
- J69.580G
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 84.7
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
FragrancesFragrance Ingredient (beta-Methylphenethyl alcohol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.971-0.978
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in oils; Slightly soluble in water
Soluble (in ethanol)
Boiling Point
113.00 to 114.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index1.523-1.530
Physical Description
Colorless liquid; [Alfa Aesar MSDS]
Colourless liquid; Sweet floral lilac, hyacinth type aroma
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 93.1% (268 of 288) of all reports.
Not Classified
Aggregated GHS information provided per 288 reports by companies from 5 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, .beta.-methyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 2-phenylpropan-1-ol (EC: 214-379-7)
Benzeneethanol, .beta.-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
Hazards Summary
Causes changes in liver, bladder, and kidney weights, changes in erythrocyte count, normocytic anemia, and weight loss in 13-week oral studies of rats; [RTECS] Safe when used as a flavoring agent in food; [JECFA] May cause irritation; Harmful by ingestion; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- SG8590000
- hs_code
- 2906299090
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzeneethanol, .beta.-methyl-: ACTIVE
Applications
Descriptionβ-Methylphenethyl alcohol has a faint, aromatic odor reminiscent of hyacinth. May be prepared by reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known.
Uses2-Phenyl-1-propanol was used to study the synergism between enzyme catalysis and microwave irradiation.
General DescriptionThe mass spectra of 2-phenyl-1-propanol was studied by positive- and negative-ion-fast atom bombardment-mass spectrometric ionization technique.
Preparation methods
PreparationBy reduction of the corresponding aldehyde with zinc and acetic acid and subsequent saponification of the sodium salt; two optically active isomers (d- and l-) are known
Upstream & downstream products
Upstream raw materials
Related reactions
32 records
Compound notes
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