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2-propan-2-ylbenzoicacid

2-propan-2-ylbenzoicacid structure

CAS No:
2438-04-2
Formula:
C10H12O2
Chemical Name:
2-propan-2-ylbenzoicacid
Synonyms:
o-Cumicacid;o-Cuminicacid;2-propan-2-ylbenzoicacid;2-(1-Methylethyl)benzoicacid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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2-propan-2-ylbenzoicacid Basic Attributes

Molecular Weight：

164.201

Exact Mass：

164.083725

HScode：

2916399090

Characteristics

PSA：

37.30000

XLogP3：

Density：

1.1±0.1 g/cm3

Melting Point：

61-64ºC

Boiling Point：

269.9±19.0 °C at 760 mmHg

Flash Point：

127.3±16.2 °C

Refractive Index：

1.535

Safety Information

hazard class code：

R36/37/38

safety instructions：

26-36

Marks：

Xi: Irritant;

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:164.20
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:164.083729621
Monoisotopic Mass:164.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes