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Cyclohexaneacetic acid

Cyclohexaneacetic acid structure

CAS No:
5292-21-7
Formula:
C8H14O2
Chemical Name:
Cyclohexaneacetic acid
Synonyms:
Cyclohexaneacetic acid;Cyclohexylacetic acid;NCI 204816;2-Cyclohexylacetic acid;NSC 2159
Categories:
Chemical Reagents > Organic Reagents

Description

White to pale yellow low melting solid Cyclohexane acetic acid has a sharp acetic odor.

Solid|Colourless crystalline mass or white crystals; sharp acetic odour

Cyclohexylacetic acid is a monocarboxylic acid consisting of cyclohexane carrying a carboxymethyl substituent. It derives from an acetic acid.

Cyclohexaneacetic acid Basic Attributes

Molecular Weight：

142.2

Exact Mass：

142.20

EC Number：

226-132-0

UNII：

V43K3TO0HN

NSC Number：

2159

DSSTox ID：

DTXSID7063762

HScode：

2916209090

Characteristics

PSA：

37.3

XLogP3：

2.5

Appearance：

Solid

Density：

0.985 g/cm³ @ Temp: 22 °C

Melting Point：

33 °C

Boiling Point：

245 °C

Flash Point：

123.9±9.8 °C

Refractive Index：

1.468

Water Solubility：

2.88 mg/mL at 25 °C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

GU8370000

Marks：

Xi:Irritant;

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

cyclohexaneacetic acid

Cyclohexaneacetic acid Use and Manufacturing

Manufacturing Info：

Cyclohexaneacetic acid: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:142.20
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:37.3
Heavy Atom Count:10
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 5292-21-7

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Cyclohexylacetic acid

CAS No.: 5292-21-7

Grade: Industrial Grade

Content: 98%

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