CAS 31195-95-6 2-Isobutylphenol (HCID 93144)

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Basic information

CAS: 31195-95-6
Standard SMILES: CC(C)Cc1ccccc1O
InChIKey: NFIDBGJMFKNGGQ-UHFFFAOYSA-N
Molecular formula: C10H14O
Average molar mass: 150.22 g/mol
Monoisotopic mass: 150.10446507

Names & identifiers

Preferred name: 2-Isobutylphenol
IUPAC: 2-(2-methylpropyl)phenol
English name: isobutylphenol
Molecular formula: C10H14O
Molecular weight: 150.21756

Names & synonyms

2-Isobutylphenol2-(2-Methylpropyl)phenol4167-75-3Isobutylphenolo-IsobutylphenolPhenol, 2-(2-methylpropyl)-Phenol, (2-methylpropyl)-31195-95-6WG4PCJ3E5MEINECS 250-509-9RefChem:473816DTXCID3038309

Show more names

(2-methylpropyl)-pheno

DTXSID3067601250-509-9887-186-4Phenol, o-isobutyl-MLS001075656SMR0006392022-Isobutyl-phenolUNII-WG4PCJ3E5M

Database identifiers

CAS: 31195-95-6、4167-75-3
PubChem CID: 93144
DTXSID: DTXSID3067601
ChEMBL: CHEMBL322535
UNII: WG4PCJ3E5M
EC Number: 250-509-9、887-186-4
Nikkaji: J526.386G

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 109

Experimental & physicochemical properties

FragrancesFragrance Ingredient (Phenol, (2-methylpropyl)-) -> IFRA transparency List

Physicochemical properties

LogP: 3.35 · 3.350 (est)
EWG's Food Scores: 1 · 1
EPA Substance Registry System: Phenol, (2-methylpropyl)- (31195-95-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

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

Hazard information

Regulatory Information · 2 items

Chemical: Phenol, 2-(2-methylpropyl)-

Chemical: Phenol, (2-methylpropyl)-

Other Safety Information · 2 items

Evaluation - Propyl and butyl phenols

Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and Categories · 2 items

Skin Irrit. 2 (100%)

Acute Tox. 4 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362