6-Phenyl-1-hexanol

HCID 520110

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Basic information

CAS: 2430-16-2
Standard SMILES: OCCCCCCc1ccccc1
InChIKey: FDXBUMXUJRZANT-UHFFFAOYSA-N
Molecular formula: C12H18O
Average molar mass: 178.27 g/mol
Monoisotopic mass: 178.1357652

Overview

Benzenehexanol has been reported in Apis with data available.

Names & identifiers

Preferred name: 6-Phenyl-1-hexanol
IUPAC: 6-phenylhexan-1-ol
English name: 6-PHENYL-1-HEXANOL
Molecular formula: C12H18O
Molecular weight: 178.27

Names & synonyms

6-Phenyl-1-hexanol6-phenylhexan-1-ol2430-16-2BenzenehexanolDTXSID50179033RefChem:544264DTXCID80101524626-069-26-PhenylhexanolMFCD000140636-Phenyl-n-hexanol6-Phenyl hexanol-1

Show more names

PHENYLHEXANOLBenzene-1-hexanol6-PHENYL-A-HEXANOL6-phenylhexane-1-ol

6-phenyl-hexan-1-olSCHEMBL95367SCHEMBL953686-Phenyl-1-hexanol, 97%SCHEMBL3586717SCHEMBL3593788SCHEMBL7167586SCHEMBL9170505

Database identifiers

CAS: 2430-16-2
PubChem CID: 520110
DTXSID: DTXSID50179033
ChEMBL: CHEMBL3730920
EC Number: 626-069-2
Nikkaji: J155.088H

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 13
Formal charge: 0
Complexity: 106

Physicochemical properties

Boiling point: 154 · 154-155 °C11 mm Hg(lit.)
Density: 0.953 g/mL · 0.953 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.511(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Refrigerator
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Liquid
pka: 15.19 · 15.19±0.10(Predicted)
color: Clear colorless
BRN: 1939893 · 1939893
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI: 1S/C12H18O/c13-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10,13H,1-2,4,7-8,11H2
InChIKey: FDXBUMXUJRZANT-UHFFFAOYSA-N
SMILES: OCCCCCCc1ccccc1
CAS DataBase Reference: 2430 · 2430-16-2(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HS Code: 29062900 · 29062900
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.