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453757

Sigma-Aldrich

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:
4771-80-6
Molecular Weight:
126.15
EC Number:
225-314-7
MDL number:
MFCD00013781
UNSPSC Code:
12352100
PubChem Substance ID:
24868850
NACRES:
NA.22

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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Related Categories

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H312,H314

Hazard Classifications

Acute Tox. 4 Dermal - Skin Corr. 1B

Storage Class Code

8A - Combustible corrosive hazardous materials

WGK

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

Certificates of Analysis (COA)

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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)
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.
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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