CAS 50604-11-0 4-(2-Methoxypropan-2-yl)benzoic acid (HCID 18174432)

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Basic information

CAS: 50604-11-0
Standard SMILES: COC(C)(C)c1ccc(C(=O)O)cc1
InChIKey: RVMRYQGFJASPGA-UHFFFAOYSA-N
Molecular formula: C11H14O3
Average molar mass: 194.23 g/mol

Names & identifiers

Preferred name: 4-(2-Methoxypropan-2-yl)benzoic acid
IUPAC: 4-(2-methoxypropan-2-yl)benzoic acid
English name: 4-(2-Methoxypropan-2-yl)benzoic Acid
Molecular formula: C11H14O3
Molecular weight: 194.23

Names & synonyms

4-(2-methoxypropan-2-yl)benzoic acid50604-11-0RefChem:512608866-521-84-(1-methoxy-1-methylethyl)benzoic acidSCHEMBL103563RVMRYQGFJASPGA-UHFFFAOYSA-NACA60411MFCD204840154-(2-Methoxy-2-propyl)benzoic Acid4-(2-methoxypropan-2-yl)benzoicacidSY146072

Show more names

Benzoic acid, 4-(1-methoxy-1-methylethyl)-

DB-183753EN300-120280

Database identifiers

CAS: 50604-11-0
PubChem CID: 18174432
EC Number: 866-521-8

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 203

Physicochemical properties

Boiling point: 294.5 · 294.5±23.0 °C(Predicted)
Density: 1.109 · 1.109±0.06 g/cm3(Predicted)
pka: 4.36 · 4.36±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H335-H315-H319
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362