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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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.
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)
Pia Haslund Jørgensen et al.
Contact dermatitis, 56(3), 146-150 (2007-02-14)
Hydroxyisohexyl-3-cyclohexene carboxaldehyde (HICC) known as Lyral is a frequent allergen. It is used in more than 50% of marketed deodorants. The aim of the present study was to determine elicitation thresholds for HICC under simulated conditions of deodorant use. 15
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)
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