453757

Sigma-Aldrich

3-Cyclohexene-1-carboxylic acid

97%

Synonym(s):
1,2,3,6-Tetrahydrobenzoic acid
Linear Formula:
C6H9CO2H
CAS Number:
Molecular Weight:
126.15
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

assay

97%

refractive index

n20/D 1.48 (lit.)

bp

130-133 °C/4 mmHg (lit.)

mp

17 °C (lit.)

density

1.081 g/mL at 25 °C (lit.)

SMILES string

OC(=O)C1CCC=CC1

InChI

1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)

InChI key

VUSWCWPCANWBFG-UHFFFAOYSA-N

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Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

hazcat

Acute Tox. 4 Dermal - Skin Corr. 1B

storage_class_code

8A - Combustible, corrosive hazardous materials

WGK Germany

WGK 3

Flash Point(F)

230.0 °F - closed cup

Flash Point(C)

110 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Certificate of Analysis

Certificate of Origin

Karine Barral et al.
Journal of medicinal chemistry, 48(2), 450-456 (2005-01-22)
Starting from commercially available (rac)-3-cyclohexene-1-carboxylic acid, a series of purine and pyrimidine cis-substituted cyclohexenyl and cyclohexanyl nucleosides were synthesized through a key Mitsunobu reaction. Antiviral evaluations were performed on HIV, coxsackie B3, and herpes viruses (HSV-1, HSV-2, VZV, HCMV). Three...
E R Blakley et al.
Canadian journal of microbiology, 28(12), 1324-1329 (1982-12-01)
A strain of Pseudomonas putida grew rapidly on cyclohexanecarboxylic acid as a sole source of carbon. A CoA-mediated beta-oxidation pathway was induced for the metabolism of the compound. The organism could not utilize 3-cyclohexenecarboxylic acid as a sole source of...
Total synthesis of (.+-.)-methyl shikimate and (.+-.)-3-phosphoshikimic acid.
Bartlett PA and McQuaid LA.
Journal of the American Chemical Society, 106(25), 7854-7860 (1984)
Yeon Hee Ban et al.
Molecular bioSystems, 9(5), 944-947 (2012-12-12)
A FK506 analogue containing a non-natural starter unit was obtained through mutasynthesis by feeding cultures of Streptomyces sp. KCTC 11604BP fkbO deletion mutant with 3-cyclohexene-1-carboxylic acid. The structure of the new compound, 32-dehydroxy-FK506, and its biological activities were determined.
Xiaodan Yan et al.
Applied and environmental microbiology, 82(22), 6748-6756 (2016-10-30)
Promiscuous enzymes are generally considered to be starting points in the evolution of offspring enzymes with more specific or even novel catalytic activities, which is the molecular basis of producing new biological functions. Mhg, a typical α/β fold hydrolase, was...

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