4-Isopropoxyphenol

HCID 82001CAS 7495-77-4

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Basic information

Standard SMILES: CC(C)Oc1ccc(O)cc1
InChIKey: QEYQMWSESURNPP-UHFFFAOYSA-N
Molecular formula: C9H12O2
Average molar mass: 152.19 g/mol
Monoisotopic mass: 152.08372962

Names & identifiers

Preferred name: 4-Isopropoxyphenol
IUPAC: 4-propan-2-yloxyphenol
English name: 4-ISOPROPOXYPHENOL
Molecular formula: C9H12O2
Molecular weight: 152.19

Names & synonyms

4-IsopropoxyphenolPhenol, 4-(1-methylethoxy)-p-IsopropoxyphenolNKT4VD4W9LNSC-407767PHENOL, 4-ISOPROPOXY-DTXSID8064725RefChem:99498DTXCID70477247495-77-44-(propan-2-yloxy)phenol4-propan-2-yloxyphenol

Show more names

4-(1-Methylethoxy)-4-propan-2-yloxyphenolppp

Phenol, p-isopropoxy-MFCD08703155Isopropyl p-hydroxyphenyl ether4-isopropoxy-phenol4-isopropyloxyphenolEINECS 231-346-2NSC407767NSC 407767

Database identifiers

CAS: 7495-77-4
PubChem CID: 82001
DTXSID: DTXSID8064725
ChEMBL: CHEMBL457922
UNII: NKT4VD4W9L
EC Number: 231-346-2
Nikkaji: J307.841H

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 104

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Brown
FDA UNII: 4 VD4W9L · NKT4VD4W9L
EPA Substance Registry System: 4 · Phenol, 4-(1-methylethoxy)- (7495-77-4)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Risk Statements: 36 · 36
Safety Statements: 26 · 26
TSCA: TSCA listed
HS Code: 2909500090 · 2909500090

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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.