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HCID 7413Erstellt: 24. Oktober 2026

Cyclohexancarbonsure

CYCLOHEXANECARBOXYLATE · FEMA 3531 · Cyclohexylcarboxylic acid · Cyelohexanecarboxylic acid · HEXAHYDROBENZOIC ACID · AI301809 · AI3 01809 · AI3-01809

https://huagongshe.com/de/chemical/7413

Molekülstruktur von Cyclohexancarbonsure

Identifikatoren & physikalische Daten

CAS No.50825-29-1
SummenformelC7H12O2
Durchschnittliche Molmasse128,17 g/mol
Monoisotopische Masse128,08372962 g/mol
SMILESO=C(O)C1CCCCC1
InChIKeyNZNMSOFKMUBTKW-UHFFFAOYSA-N
PubChem CID7413
ChEBICHEBI:36096
EC No.202-711-3
DTXSIDDTXSID8059180
Lokaler NameCyclohexancarbonsure

Chemische & physikalische Eigenschaften

XLogP1,9
Polarare Oberfläche (TPSA)37,3
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen1
Schwere Atome9
Formalladung0
Komplexität103
StoffklassenOther Classes -> Benzoic Acid Derivatives
SpringerMaterials PropertiesDensity
DuftstoffeFragrance Ingredient (Cyclohexanecarboxylic acid) -> IFRA transparency List
LogP (Verteilungskoeffizient)1.96
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Dichte1.029-1.0371.033 g/mL at 25 °C(lit.)
AromastoffeEU Flavoring substances
Löslichkeit4.6 mg/mL at 25 °CSlightly soluble in watermiscible in fatMiscible at room temperature (in ethanol)H2O: soluble0.201g in 100g at 15°C0.201 g/100 mL (15 ºC)
Siedepunkt232.00 to 233.00 °C. @ 760.00 mm Hg232-233 °C232-233 °C(lit.)
Schmelzpunkt31 - 32 °C29-31 °C(lit.)
Dampfdruck0.03 [mmHg]
Brechungsindex1.516-1.520n20/D 1.461(lit.)
FEMA3531 | CYCLOHEXANECARBOXYLIC ACID
Flammpunkt>230 °F
LagerbedingungenSealed in dry,Room Temperature
pKa (Säurekonstante)4.9(at 25℃)
AggregatzustandCrystalline Solid
Wichte1.033
FarbeWhite
Geruchfruity acidic metallic cheese tropical
Geruchsartfruity
Merck14,2724
JECFA Number961
BRN970529
Dielektrizitätskonstante2.6(31℃)
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
InChI1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
InChIKeyNZNMSOFKMUBTKW-UHFFFAOYSA-N
SMILESOC(=O)C1CCCCC1
LogP (Verteilungskoeffizient)1.96 at 25℃
CAS Datenbank98-89-5(CAS DataBase Reference)
NIST chemische InformationenCyclohexanecarboxylic acid(98-89-5)
EPA chemische InformationenCyclohexanecarboxylic acid (98-89-5)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 34.2% (90 of 263) of reports.DangerH315 (65.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 263 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Cyclohexanecarboxylic acidCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 26-06-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/23156Cyclohexanecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
GefahrenübersichtSafe when used as a flavoring agent in food[JECFA] An irritant that may cause serious eye injury[Sigma-Aldrich MSDS] See Benzoic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (65.4%)
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
Zollcode29172090
RTECS-Nr.GU8370000
R-Sätze (R)37/38-41-36/37/38
GefahrensymboleXi
Sicherheitshinweise (S)26-36-37/39
Lagerklasse11 - Combustible Solids
GefahrenklasseAcute Tox. 4 OralEye Irrit. 2

Anwendungen & Verwendung

Verwenden

Cyclohexanecarboxylic acid can be used to determine complex binding constants of the three native cyclodextrins with seven cyclohexane derivatives.