1-Phenyl-1-propanol
Basic information
- CAS
1335-12-2- Standard SMILES
CCC(O)c1ccccc1- InChIKey
DYUQAZSOFZSPHD-UHFFFAOYSA-N- Molecular formula
- C9H12O
- Average molar mass
- 136.19 g/mol
- Monoisotopic mass
- 136.088815
Overview
Phenylpropanol is an organic molecular entity.
Names & identifiers
- Preferred name
- 1-Phenyl-1-propanol
- IUPAC
- 1-phenylpropan-1-ol
- English name
- phenylpropanol
- Molecular formula
- C9H12O
- Molecular weight
- 136.19
Names & synonyms
1-Phenyl-1-propanol1-Phenylpropan-1-ol93-54-9PhenylpropanolPhenycholonEjibilFelicurLivonalFeparFelitropePhenycholPhenicol
Show more names
phenyl-1-Propanol1-Propanol, phenyl-
BilergonCarbicolEpatoxfenGallenperlenPhenylcholCholedaUnicholalpha-Ethylbenzyl alcohol
Database identifiers
- CAS
1335-12-2、93-54-9、93842-54-7- PubChem CID
- 7147
- DTXSID
DTXSID2044474- ChEMBL
CHEMBL1397202- ChEBI
CHEBI:31995- UNII
- 0F897O3O4M
- EC Number
- 202-256-0、215-621-4
- Nikkaji
- J4.678G
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
- 84.7
Experimental & physicochemical properties
PolymersOther Classes -> Alcohols and Polyols, Other
CosmeticsSolvent
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.993-1.000
Flavoring AgentsEU Flavoring substances
Solubility
0.6 g/L @ 20 °C (exp)
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
103.00 °C. @ 14.00 mm Hg
219 °C
Refractive Index1.517-1.522
Physical Description
Oily liquid with a mild ester-like odor; [Merck Index] Clear colorless liquid; [Sigma-Aldrich MSDS]
colourless oily liquid with a sweet floral balsamic odour
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
Warning
H302 (25.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 314 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenemethanol, .alpha.-ethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: 1-phenylpropan-1-ol (EC: 202-256-0)
1-Phenyl-1-propanol: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; Toxic by ingestion; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (25.2%)
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
UsesUsed as a heat transfer medium, in perfumery, and as a choleretic; [Merck Index] Used as a flavoring agent; [FDA]
Household ProductsInformation on 3 consumer products that contain Phenylpropanol in the following categories is provided:
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Additional notes
DefinitionChEBI: 3-Phenyl-1-propanol is a monocyclic arene.
Related reactions
52 records
Compound notes
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