CAS 3391-10-4 Benzenemethanol, 4-chloro-alpha-methyl- (HCID 18825)

Names & identifiers

Preferred name: Benzenemethanol, 4-chloro-alpha-methyl-
IUPAC: 1-(4-chlorophenyl)ethanol
English name: 1-(4-Chlorophenyl)ethanol
Molecular formula: C8H9ClO
Molecular weight: 156.61

Names & synonyms

1-(4-Chlorophenyl)ethanol1-(P-CHLOROPHENYL)ETHANOLBenzenemethanol, 4-chloro-.alpha.-methyl-Benzenemethanol, 4-chloro-alpha-methyl-p-Chloro-alpha-methylbenzyl alcoholalpha-(p-Chlorophenyl)ethanolDTXSID60871854EINECS 222-223-4NSC 87867Benzyl alcohol, p-chloro-alpha-methyl-AI3-02463RefChem:563508

Show more names

P-CHLOROPHENYLMETHYCARBINOL1-p-Chlorophenylethyl alcohol4-Chlor-α-methylbenzylalkohol4-Chlor-α-methylbenzylalkohol4-CHLOROPHENYL METHYL CARBINOLp-Chloro-α-methylbenzyl alcohol1-(4-CHLOROPHENYL)ETHYL ALCOHOL

DTXCID40819471Benzyl alcohol, p-chloro-alpha-methyl-(8CI)3391-10-41-(4-chlorophenyl)ethan-1-ol4-Chloro-alpha-methylbenzyl alcoholMFCD000410384-ChlorophenylmethylcarbinolBenzyl alcohol, p-chloro-.alpha.-methyl-

Database identifiers

CAS: 3391-10-4
PubChem CID: 18825
DTXSID: DTXSID60871854
UNII: Y35SM392RP
EC Number: 222-223-4
Nikkaji: J28.523D

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 97.4

Physicochemical properties

Boiling point: 119 °C/10 · 119 °C/10 mmHg (lit.)
Density: 1.171 g/mL · 1.171 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.541(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: Liquid
pka: 14.22 · 14.22±0.20(Predicted)
Specific Gravity: 1.17 · 1.17
color: Colorless to pale yellow
BRN: 2042027 · 2042027
InChI: InChI=1S/C8H9ClO/c1-6(10)7-2-4-8(9)5-3-7/h2-6,10H,1H3
InChIKey: MVOSNPUNXINWAD-UHFFFAOYSA-N
SMILES: C1(=CC=C(Cl)C=C1)C(O)C
CAS DataBase Reference: 3391 · 3391-10-4(CAS DataBase Reference)
NIST Chemistry Reference: 4 · 4-Chloro-alpha-methylbenzyl alcohol(3391-10-4)
EPA Substance Registry System: 4 · Benzenemethanol, 4-chloro-.alpha.-methyl- (3391-10-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29062990 · 29062990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29062990
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanol, 4-chloro-.alpha.-methyl-: INACTIVE

Applications

Uses1-(4-Chlorophenyl)ethanol was used to study transfer dehydrogenation of various alcohols over heterogeneous palladium catalysts using olefins as hydrogen acceptors.