2-(4-tert-Butylphenoxy)ethanol

HCID 12841CAS 18249-20-2

Substructure search Find similar structures

Basic information

Standard SMILES: CC(C)(C)c1ccc(OCCO)cc1
InChIKey: KGPFHDDLZCYWAO-UHFFFAOYSA-N
Molecular formula: C12H18O2
Average molar mass: 194.27 g/mol

Overview

See other relationships...

Names & identifiers

Preferred name: 2-(4-tert-Butylphenoxy)ethanol
IUPAC: 2-(4-tert-butylphenoxy)ethanol
English name: 2-(4-tert-butylphenoxy)ethanol
Molecular formula: C12H18O2
Molecular weight: 194.27

Names & synonyms

2-(4-tert-Butylphenoxy)ethanol2-(p-tert-Butylphenoxy)ethanolEthanol, 2-(p-tert-butylphenoxy)-2-(p-tert-Butylphenyloxy)ethanolEthanol, 2-[4-(1,1-dimethylethyl)phenoxy]-.beta.-(p-tert-Butylphenoxy)ethanolB9JO720PSH2-(4-(1,1-Dimethylethyl)phenoxyl)ethanolbeta-(p-tert-Butylphenoxy)ethanolNSC 2176NSC-2176Ethanol, 2-(4-(1,1-dimethylethyl)phenoxy)-

Show more names

2-(4-(Tert-butyl)phenoxy)ethan-1-ol

EINECS 211-929-8UNII-B9JO720PSH2-[4-(1,1-Dimethylethyl)phenoxy]ethanolAI3-00033DTXSID808675772-[4-(1,1-Dimethylethyl)phenoxyl]ethanol.BETA.-(4-TERT-BUTYLPHENOXY)ETHANOL2-(4-TERT-BUTYLPHENOXY)ETHYL ALCOHOL

Database identifiers

CAS: 18249-20-2、713-46-2
PubChem CID: 12841
DTXSID: DTXSID80867577
UNII: B9JO720PSH
EC Number: 211-929-8、680-647-9
Nikkaji: J95.004A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 152

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Boiling point: 151 · 151-153 °C(Press: 9 Torr)
Density: 1 · 1.000±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 14.3 · 14.30±0.10(Predicted)
FDA UNII: 9 JO720PSH · B9JO720PSH
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]

Hazard information

Hazard Classes and Categories · 2 items

Acute Tox. 4 (100%)

Acute Tox. 4 (20%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501