CAS 403-41-8 1-(4-Fluorophenyl)ethanol (HCID 73946)

Substructure search Find similar structures

Basic information

CAS: 403-41-8
Standard SMILES: CC(O)c1ccc(F)cc1
InChIKey: PSDSORRYQPTKSV-UHFFFAOYSA-N
Molecular formula: C8H9FO
Average molar mass: 140.15 g/mol
Monoisotopic mass: 140.06374313

Names & identifiers

Preferred name: 1-(4-Fluorophenyl)ethanol
IUPAC: 1-(4-fluorophenyl)ethanol
English name: 1-(4-Fluorophenyl)ethanol
Molecular formula: C8H9FO
Molecular weight: 140.16

Names & synonyms

1-(4-fluorophenyl)ethanol403-41-84-Fluoro-alpha-methylbenzyl alcoholRefChem:907365206-959-31-(4-Fluorophenyl)ethyl Alcohol1-(4-fluorophenyl)ethan-1-olp-Fluorophenylmethylcarbinol4-FluorophenylmethylcarbinolMFCD000045154-Fluorophenyl methyl carbinol4-fluoro-a-methylbenzyl alcohol

Show more names

1-(4-Fluorophenyl)-1-Ethanol1-(4-FLU1-(P-FLUOROPHENYL)ETHANOL4-fluoro-α-methylbenzyl alcohol1-(p-Fluorophenyl)ethyl alcoholα-Methyl-4-fluorobenzyl alcohol

(R)-1-(4-Fluorophenyl)ethan-1D-1-ol1309602-17-21-(4-fluorophenyl)-ethanolNSC2983EINECS 206-959-31-(4-flourophenyl)ethanolSCHEMBL57895SCHEMBL502663

Database identifiers

CAS: 403-41-8
PubChem CID: 73946
DTXSID: DTXSID001365831
EC Number: 206-959-3
Nikkaji: J213.661I

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.4

Physicochemical properties

Melting point: 9 °C · 9 °C
Boiling point: 90 · 90-92 °C7 mm Hg(lit.)
Density: 1.109 g/mL · 1.109 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.501(lit.)
Flash point: 195 °F · 195 °F
storage temp.: Sealed in dry,Room Temperature
pka: 14.36 · 14.36±0.20(Predicted)
form: clear liquid
color: Colorless to Light yellow to Light orange
Specific Gravity: 1.12 · 1.120
InChI: 1S/C8H9FO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey: PSDSORRYQPTKSV-UHFFFAOYSA-N
SMILES: CC(O)c1ccc(F)cc1
CAS DataBase Reference: 403 · 403-41-8(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Fluorophenylmethylcarbinol(403-41-8)

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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
hs_code: 29062990
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,F,Xn
hazard_note: Flammable
safety_code: 26-36-36/37/39
hazard_class: IRRITANT
Storage Class: 10 - Combustible liquids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses4-Fluoro-α-methylbenzyl alcohol was isolated as phytocomponent in the methanolic extracts of the whole plant of Thevetia peruviana.

General Description4-Fluoro-α-methylbenzyl alcohol was isolated as phytocomponent in the methanolic extracts of the whole plant of Thevetia peruviana.