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Merck
CN

W353108

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
Council of Europe no.:
11911
UNSPSC Code:
12164502
PubChem Substance ID:
24901765
Flavis number:
8.060
EC Number:
202-711-3
NACRES:
NA.21
MDL number:
MFCD00001461
Beilstein/REAXYS Number:
970529
Organoleptic:
fruity; acidic
Grade:
FG, Kosher
Biological source:
synthetic
Food allergen:
no known allergens

Key Documents

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SMILES string

OC(=O)C1CCCCC1

InChI key

NZNMSOFKMUBTKW-UHFFFAOYSA-N

InChI

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

biological source

synthetic

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.)

Quality Level

400

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

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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

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
STBJ5503
STBH2585
MKBZ6770V
MKBH4929V
STBD9975V

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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
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.
Fumihito Muro et al.
Bioorganic & medicinal chemistry, 17(3), 1232-1243 (2009-01-07)
During the course of our study, it was revealed that the poor pharmacokinetic properties of a series of benzoic acid derivatives such as 1 should be attributed to the diphenylurea moiety. Thus, we replaced the diphenylurea moiety in 1 with
View All Related Papers

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