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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:
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
Organoleptic:
fruity; acidic
grade:
FG
Kosher
biological source:
synthetic
food allergen:
no known allergens

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.[1] It is also one of the aromatic volatile compounds found in the secretion of tail glands of red deer.[2]

Pictograms

Health hazardCorrosion
GHS08,GHS05

Signal Word

Danger

Hazard Statements

H315,H318,H373

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

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

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ5503
STBH2585
MKBZ6770V
MKBH4929V
STBD9975V

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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)
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)
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
Christo Christov et al.
ChemMedChem, 6(1), 131-140 (2010-12-07)
2-(3,5-Dichlorophenylcarbamoyl)cyclohexanecarboxylic acid (1) is a potent and selective positive allosteric modulator of metabotropic glutamate receptor subtype 4 (mGluR4). The activity of 1 was reported to reside in the cis diastereomer with equal potency between its enantiomeric forms (Niswender et al., Mol. Pharmacol.
P G Egland et al.
Journal of bacteriology, 177(22), 6545-6551 (1995-11-01)
The first step of anaerobic benzoate degradation is the formation of benzoyl-coenzyme A by benzoate-coenzyme A ligase. This enzyme, purified from Rhodopseudomonas palustris, is maximally active with 5 microM benzoate. To study the molecular basis for this reaction, the benzoate-coenzyme
View All Related Papers

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