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1-Cyclohexene-1-carboxylic acid

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1-Cyclohexene-1-carboxylic acid Basic information

Product Name:
1-Cyclohexene-1-carboxylic acid
Synonyms:
  • CYCLOHEXENE-1-CARBOXYLIC ACID
  • CYCLOHEX-1-ENECARBOXYLIC ACID
  • 1-cyclohexenecarboxyucacid
  • 1-CYCLOHEXENECARBOXYLIC ACID
  • 1-CYCLOHEXENE-1-CARBOXYLIC ACID
  • 3,4,5,6-TETRAHYDROBENZOIC ACID
  • TIMTEC-BB SBB006589
  • RARECHEM AL BO 2318
CAS:
636-82-8
MF:
C7H10O2
MW:
126.15
EINECS:
628-298-3
Product Categories:
  • Carboxylic Acids
  • Pharmaceutical Intermediates
  • C7
  • Carbonyl Compounds
Mol File:
636-82-8.mol
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1-Cyclohexene-1-carboxylic acid Chemical Properties

Melting point:
35-39 °C(lit.)
Boiling point:
133-135 °C14 mm Hg(lit.)
Density 
1.101 g/mL at 25 °C(lit.)
refractive index 
1.5
Flash point:
>230 °F
storage temp. 
Inert atmosphere,Room Temperature
solubility 
Chloroform, Methanol (Slightly)
form 
Crystalline Mass or Liquid
pka
5.00±0.20(Predicted)
color 
White to light yellow
Water Solubility 
Soluble in water (0.7 g/L at 20°C).
BRN 
1905520
InChIKey
NMEZJSDUZQOPFE-UHFFFAOYSA-N
CAS DataBase Reference
636-82-8(CAS DataBase Reference)
NIST Chemistry Reference
1-Cyclohexene-1-carboxylic acid(636-82-8)
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Safety Information

Hazard Codes 
C
Risk Statements 
34
Safety Statements 
26-27-36/37/39-45
RIDADR 
UN 3261 8/PG 3
WGK Germany 
3
HazardClass 
8
PackingGroup 
III
HS Code 
29162090

MSDS

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1-Cyclohexene-1-carboxylic acid Usage And Synthesis

Chemical Properties

white to light yellow low melting crystalline

Uses

1-Cyclohexene-1-carboxylic acid is an intermediate in benzoic acid anaerobic decomposition by methanogenic consortium.

Definition

ChEBI: Cyclohex-1-enecarboxylic acid is an alpha,beta-unsaturated monocarboxylic acid.

Synthesis Reference(s)

Journal of Medicinal Chemistry, 13, p. 317, 1970 DOI: 10.1021/jm00296a044
The Journal of Organic Chemistry, 48, p. 1166, 1983 DOI: 10.1021/jo00156a004

General Description

1-Cyclohexene-1-carboxylic acid was identified as intermediate during the anaerobic decomposition of benzoic acid by a methanogenic consortium.

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