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W353108

Sigma-Aldrich

Cyclohexanecarboxylic acid

≥98%, FG

Synonym(s):

Hexahydrobenzoic acid

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About This Item

Linear Formula:
C6H11CO2H
CAS Number:
98-89-5
Molecular Weight:
128.17
FEMA Number:
3531
Beilstein/REAXYS Number:
970529
EC Number:
202-711-3
Council of Europe no.:
11911
MDL number:
MFCD00001461
UNSPSC Code:
12164502
PubChem Substance ID:
24901765
Flavis number:
8.060
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 110

assay

≥98%

refractive index

n20/D 1.461 (lit.)

bp

232-233 °C (lit.)

mp

29-31 °C (lit.)

density

1.033 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

fruity; acidic

SMILES string

OC(=O)C1CCCCC1

InChI

1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

InChI key

NZNMSOFKMUBTKW-UHFFFAOYSA-N

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General description

Cyclohexanecarboxylic acid occurs naturally in the leaves of Ormosia henryi Prain. It is also one of the aromatic volatile compounds found in the secretion of tail glands of red deer.

pictograms

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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A new sexual signal in rutting male red deer: Age related chemical scent constituents in the belly black spot.
Martin J, et al.
Mammalian Biology-Zeitschrift fur Saugetierkunde, 79(6), 362-368 (2014)
GC-MS Analysis of Chemical Constituents of the Volatile Oil from Leaves of Ormosia henryi Prain.
Jiexiong NBZWF & Mi T.
Guangdong Forestry Science and Technology, 2, 012-012 (2012)
Janice C Paslawski et al.
Biodegradation, 20(1), 125-133 (2008-07-18)
Naphthenic acids are a complex mixture of organic compounds which naturally occur in crude oil. Low molecular weight components of the naphthenic acids are known to be toxic in aquatic environments and there is a need to better understand the
Housna Mouttaki et al.
Applied and environmental microbiology, 75(4), 998-1004 (2008-12-31)
Transformations of 2-hydroxybenzoate and fluorobenzoate isomers were investigated in the strictly anaerobic Syntrophus aciditrophicus to gain insight into the initial steps of the metabolism of aromatic acids. 2-Hydroxybenzoate was metabolized to methane and acetate by S. aciditrophicus and Methanospirillum hungatei
M J Liu et al.
Drug metabolism and disposition: the biological fate of chemicals, 20(6), 810-815 (1992-11-01)
The pharmacokinetics of valproic acid (VPA) and its structural analogs cyclohexanecarboxylic acid (CCA) and 1-methyl-1-cyclohexanecarboxylic acid (MCCA) were examined in bile-exteriorized rats. A 0.52 mmol/kg dose (equivalent to 75 mg/kg VPA) of test compound (N = 4 rats per compound)
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