Cyclohexancarbonsure

Bezeichnung:Cyclohexancarbonsure

CAS-Nr98-89-5

Englisch Name:Cyclohexanecarboxylic acid

CBNumberCB0332732

SummenformelC7H12O2

Molgewicht128.17

MOL-Datei98-89-5.mol

Synonyma

Cyclohexancarbonsure

Cyclohexancarbonsure physikalisch-chemischer Eigenschaften

Schmelzpunkt	29-31 °C(lit.)
Siedepunkt	232-233 °C(lit.)
Dichte	1.033 g/mL at 25 °C(lit.)
FEMA	3531 \| CYCLOHEXANECARBOXYLIC ACID
Brechungsindex	n20/D 1.461(lit.)
Flammpunkt	>230 °F
storage temp.	Sealed in dry,Room Temperature
Löslichkeit	H2O: soluble0.201g in 100g at 15°C
pka	4.9(at 25℃)
Aggregatzustand	Crystalline Solid
Farbe	White
Wichte	1.033
Geruch (Odor)	fruity acidic metallic cheese tropical
Geruchsart	fruity
Wasserlöslichkeit	0.201 g/100 mL (15 ºC)
Merck	14,2724
JECFA Number	961
BRN	970529
Dielectric constant	2.6(31℃)
Kosmetik-Inhaltsstoffe Funktionen	PERFUMING
InChI	1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKey	NZNMSOFKMUBTKW-UHFFFAOYSA-N
SMILES	OC(=O)C1CCCCC1
LogP	1.96 at 25℃
CAS Datenbank	98-89-5(CAS DataBase Reference)
NIST chemische Informationen	Cyclohexanecarboxylic acid(98-89-5)
EPA chemische Informationen	Cyclohexanecarboxylic acid (98-89-5)

Sicherheit

Kennzeichnung gefährlicher	Xi
R-Sätze:	37/38-41-36/37/38
S-Sätze:	26-36-37/39
WGK Germany	2
RTECS-Nr.	GU8370000
TSCA	TSCA listed
HS Code	29172090
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2

Gefahreninformationscode (GHS)

Cyclohexanecarboxylic acid Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R37/38:Reizt die Atmungsorgane und die Haut.
R41:Gefahr ernster Augenschäden.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S36:DE: Bei der Arbeit geeignete Schutzkleidung tragen.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
Cyclohexanecarboxylic acid is a white crystalline solid that has a cheese-like odor.
Verwenden
Paint and varnish driers, dry-cleaning soaps, lubricating oils, stabilizer for rubber.
Verwenden
Cyclohexanecarboxylic acid can be used to determine complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives.
Verwenden
Cyclohexanecarboxylic acid may be used as an analytical standard for the determination of the analyte in wine and other alcoholic beverages, edible salts and high-salinity foods, and ethanolic extract of Centella asiatica by various analytical techniques.
Definition
ChEBI: Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.
Taste threshold values
Taste characteristics at 5 ppm: fruity, woody, berry-like with green dirty nuances
Synthesis Reference(s)
The Journal of Organic Chemistry, 22, p. 1680, 1957 DOI: 10.1021/jo01363a041
Tetrahedron Letters, 21, p. 4773, 1980 DOI: 10.1016/0040-4039(80)80136-5
Allgemeine Beschreibung
Cyclohexanecarboxylic acid, the saturated analog of benzoic acid, is categorized under the family of volatile organic compounds (VOCs). It is typically used as a flavoring ingredient.
Biochem/physiol Actions
Cyclohexanecarboxylic acid undergoes microbial degradation by a strain of Antherobacter to form para-hydroxybenzoic acid. Cyclohexanecarboxylic acid undergoes aromatization and converts to Hippuric acid in rat liver extracts in vitro. Cyclohexanecarboxylic acid is the starting reagent for the synthesis of polyketide-type antibiotics, Phoslactomycins.
Stoffwechsel
Cyclohexanecarboxylic acid is converted to 1-cyclohexanecarbonyl-β-d-glucose and N-cyclohexanecarbonyl-l-aspartic acid when administered to leaf disks of Phaseolus vulgaris in the light^[1].
läuterung methode
Crystallise the acid from hot H2O (solubility is 0.2% w/w at 15o), it is soluble in organic solvents. Also distil it at as high a vacuum as possible and warm the condenser as it solidifies on cooling.The acid chloride M 146.6, has b 184o/atm, d2 5 1.096, the methyl ester has b 183o/atm, and the S-benzylisothiuronium salt has m 165-166o (from EtOH). [Beilstein 9 H 7, 9 I 5, 9 II 6, 9 III15, 9 IV 16.]
Einzelnachweise
[1] J.G. Severson Jr., C. E. S., B. A. Bohm. (1970). The metabolism of cyclohexanecarboxylic acid in phaseolus vulgaris. Phytochemistry, 9 1, Pages 107-110. https://doi.org/10.1016/S0031-9422(00)86620-0

Cyclohexanecarboxylic acid Upstream-Materialien And Downstream Produkte

Cyclohexancarbonsure Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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