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4-Octylbenzoic acid

4-Octylbenzoic acid structure

CAS No:
3575-31-3
Formula:
C15H22O2
Chemical Name:
4-Octylbenzoic acid
Synonyms:
Benzoic acid,4-octyl-;Benzoic acid,p-octyl-;4-Octylbenzoic acid;p-Octylbenzoic acid;4-n-Octylbenzoic acid;NSC 173066;1042740-24-8
Categories:
Specialty Chemicals

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Description

white needles or powder

4-Octylbenzoic acid Basic Attributes

Molecular Weight：

234.33

Exact Mass：

234.33

EC Number：

222-692-5

UNII：

PWH5I1J38K

NSC Number：

173066

DSSTox ID：

DTXSID4063088

HScode：

2916399090

Characteristics

PSA：

37.3

XLogP3：

6.1

Appearance：

white needles or powder

Density：

1.0±0.1 g/cm3

Melting Point：

99-100 °C

Boiling Point：

359.9°C at 760 mmHg

Flash Point：

172.6±16.7 °C

Refractive Index：

1.515

Water Solubility：

Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water.

Toxicity：

LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37-22

safety instructions：

S22-S24/25

RTECS Number：

DH5945000

Marks：

Xn: Harmful;

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Octylbenzoic acid Use and Manufacturing

Manufacturing Info：

Benzoic acid, 4-octyl-: INACTIVE

Computed Properties

Molecular Weight:234.33
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:234.161979940
Monoisotopic Mass:234.161979940
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:205
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Octylbenzoic acid

Kindchem Co., Ltd Contact Supplier

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In stock 4-octylbenzoicacid cas no.3575-31-3 98%min KINDCHEM

CAS No.: 3575-31-3

Grade: Industrial Grade

Content: 98%

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