Basic information
- CAS
10521-91-2- Standard SMILES
OCCCCCc1ccccc1- InChIKey
DPZMVZIQRMVBBW-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Overview
5-Phenyl-1-pentanol is an aliphatic alcohol.
Names & identifiers
- Preferred name
- 5-Phenyl-1-pentanol
- IUPAC
- 5-phenylpentan-1-ol
- English name
- 5-PHENYL-1-PENTANOL
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
5-Phenylpentan-1-ol5-PHENYL-1-PENTANOL10521-91-2Benzenepentanol5-PhenylpentanolPhenylpentanolFEMA No. 361863AX6O7ZXDNSC-6590DTXSID4065107RefChem:103398DTXCID0032940
Show more names
FEMA 3618FEMA 31685-phenylpentan-5-Phenylpentana5-PHENYLPENTANOL-1
234-064-8Phenylamyl alcohol1-Pentanol, 5-phenyl-Pentanol, 5-phenyl-Phenylpentanol (VAN)MFCD000029795-Phenyl-pentan-1-olUNII-63AX6O7ZXD
Database identifiers
- CAS
10521-91-2- PubChem CID
- 61523
- DTXSID
DTXSID4065107- ChEBI
CHEBI:193410- UNII
- 63AX6O7ZXD
- EC Number
- 234-064-8
- Nikkaji
- J256I
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 95.2
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
LogP2.89
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.970-0.977
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in oils
miscible (in ethanol)
Boiling Point
155.00 °C. @ 20.00 mm Hg
155 °C (20 mm Hg)
Refractive Index1.514-1.521
Physical DescriptionColourless liquid, floral carnation note
Physicochemical properties
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzenepentanol
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Benzenepentanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29062900
- risk_code
- 41
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi
- safety_code
- 23-24/25-39-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H318
- Hazard Classifications
- Eye Dam. 1
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationBenzenepentanol: ACTIVE
Applications
Uses5-Phenyl-1-pentanol was used in the synthesis of:methoxy and fluorine analogs of N-(piperidinyl)-1-(2,4-dichlorophenyl)-4-methyl-5-(4-pentylphenyl)-1H-pyrazole-3-carboxamide (O-1302)2-[5-(4-iodophenyl)-pentyl]oxirane-2-carboxylic acid ethyl ester
General Description5-Phenyl-1-pentanol undergoes oxidation in the presence of ceric ammonium nitrate to yield 2-benzyltetrahydrofuran.
Preparation methods
Preparation1) from Benzaldehyde by condensation with Butyraldehyde, followed by complete hydrogenation and reduction of the unsaturated aldehyde.2) from Phenyl magnesium chloride and Ethylene oxide.3) by reduction of Phenylpentenoic acid, ethylester.
Upstream & downstream products
Upstream raw materials
Related reactions
71 records
Compound notes
Loading…