453757
3-Cyclohexene-1-carboxylic acid
97%
Synonym(s):
1,2,3,6-Tetrahydrobenzoic acid
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About This Item
Linear Formula:
C6H9CO2H
CAS Number:
Molecular Weight:
126.15
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
225-314-7
MDL number:
Assay:
97%
InChI key
VUSWCWPCANWBFG-UHFFFAOYSA-N
InChI
1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)
SMILES string
OC(=O)C1CCC=CC1
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.)
functional group
carboxylic acid
Quality Level
Related Categories
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Dermal - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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Yi Yang et al.
Environmental science & technology, 48(4), 2344-2351 (2014-02-01)
The effect of halides on organic contaminant destruction efficiency was compared for UV/H2O2 and UV/S2O8(2-) AOP treatments of saline waters; benzoic acid, 3-cyclohexene-1-carboxylic acid, and cyclohexanecarboxylic acid were used as models for aromatic, alkene, and alkane constituents of naphthenic acids
Bromination of 3-cyclohexene-1-carboxylic acid, epoxydation of methyl 3-cyclohexene-1-carboxylate and opening of methyl cis-and trans-3, 4-epoxycyclohexane-1-carboxylate: Stereochemical results.
Bellucci G, et al.
Tetrahedron, 28(13), 3393-3399 (1972)
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
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
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