Basic information
- CAS
705-73-7- Standard SMILES
CCCC(O)Cc1ccccc1- InChIKey
FCURFTSXOIATDW-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Overview
1-Phenyl-2-pentanol is a member of benzenes.
Names & identifiers
- Preferred name
- 1-Phenyl-2-pentanol
- IUPAC
- 1-phenylpentan-2-ol
- English name
- DL-1-phenylpentan-2-ol
- Molecular formula
- C11H16O
- Molecular weight
- 164.25
Names & synonyms
1-phenylpentan-2-ol1-Phenyl-2-pentanol2-Hydroxy-1-phenylpentaneDL-1-Phenylpentan-2-olalpha-Propylphenethyl alcoholBenzylpropylcarbinolalpha-PropylbenzeneethanolBenzeneethanol, alpha-propyl-FEMA No. 2953BENZENEETHANOL, .ALPHA.-PROPYL-UNII-8917UGK95XPhenethyl alcohol, alpha-propyl-
Show more names
α-PropylbenzeneethanolBenzeneethanol, α-propyl-alpha-propyl-benzeneethano(±)-α-Propylphenethyl alcohol.alpha.-propyl-Benzeneethanol
8917UGK95XPhenethyl alcohol, .alpha.-propyl-EINECS 211-887-0DTXSID6052451FCURFTSXOIATDW-UHFFFAOYSA-.ALPHA.-PROPYLPHENETHYL ALCOHOLRefChem:76947DTXCID8031023
Database identifiers
- CAS
705-73-7- PubChem CID
- 61202
- DTXSID
DTXSID6052451- ChEBI
CHEBI:171996- UNII
- 8917UGK95X
- EC Number
- 211-887-0
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 106
Experimental & physicochemical properties
FragrancesFragrance Ingredient (alpha-Propylphenethyl alcohol) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.957-0.964
Flavoring AgentsEU Flavoring substances
Solubility
very slightly
insoluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
247.00 °C. @ 760.00 mm Hg
247 °C; 75 °C (0.5 mm Hg)
Refractive Index1.508-1.513
Physical Descriptioncolourless oily liquid with a mild, green, sweet odour
Physicochemical properties
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 100% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzeneethanol, .alpha.-propyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzeneethanol, .alpha.-propyl-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzeneethanol, .alpha.-propyl-: Environment tier I assessment
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
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, .alpha.-propyl-: ACTIVE
Applications
OccurrenceReported found in Gruyere de Comte cheese.
Uses2-Hydroxy-1-phenylpentane is an impurity of Prolintane (P756100) synthesis.
Preparation methods
PreparationFrom phenyl acetaldehyde and propyl magnesium bromide; also by hydrogenation of propyl benzyl ketone.
Suppliers14 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
南京世洲生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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