Cyclohexanecarboxylic acid
Grundinformationen
- CAS
93131-16-9- Standard-SMILES
O=C(O)C1CCCCC1- InChIKey
NZNMSOFKMUBTKW-UHFFFAOYSA-N- Summenformel
- C7H12O2
- Durchschnittliche Molmasse
- 128,17 g/mol
Überblick
Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.
Namen und Bezeichner
- Bevorzugter Name
- Cyclohexanecarboxylic acid
- IUPAC
- cyclohexanecarboxylic acid
- Englischer Name
- :Cyclohexanecarboxylic-d11 Acid
- Summenformel
- C7H12O2
- Molmasse
- 128.17
Namen und Synonyme
CYCLOHEXANECARBOXYLIC ACID98-89-5Hexahydrobenzoic acidCarboxycyclohexaneCyclohexanoic acidCyclohexylcarboxylic acidBenzoic acid, hexahydro-Cyclohexylmethanoic acidCyclohexylformic acidCyclohexancarbonsaeureFEMA No. 3531H9VKD9VL18
Weitere Namen anzeigen
Cyclohexanecarboxylic acid-d11CYCLOHEXANECARBOXYLIC-D11 ACID
NSC-452DTXSID8059180CHEBI:36096RefChem:919389DTXCID1049063202-711-3Cyclohexane-1-carboxylateCyclohexadienecarboxylicacid
Datenbank-Bezeichner
- CAS
93131-16-9- ChEBI
CHEBI:36096- UNII
- H9VKD9VL18
- EC Number
- 202-711-3
- Nikkaji
- J38.185C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,9
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 103
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Cyclohexanecarboxylic acid) -> IFRA transparency List
LogP
1.96
1.96
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.029-1.037
Flavoring AgentsEU Flavoring substances
Solubility
4.6 mg/mL at 25 °C
Slightly soluble in water; miscible in fat
Miscible at room temperature (in ethanol)
Boiling Point
232.00 to 233.00 °C. @ 760.00 mm Hg
232-233 °C
Melting Point
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 34.2% (90 of 263) of reports.
Danger
H315 (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.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanecarboxylic acid
Commission 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/23156
Cyclohexanecarboxylic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe 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%)
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Verwendung und Herstellung
UsesUsed as a solubilizer for vulcanized rubber, a clarifier for mineral oil, and in insecticides; [Merck Index] Used as a flavoring agent; [FDA] Used as an intermediate; [ExPub: ECHA REACH Registrations]
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Cyclohexanecarboxylic acid: ACTIVE
Cyclohexanecarboxylic acid, lead salt (1:?): ACTIVE
Anwendungen
Verwenden:Cyclohexanecarboxylic-d11 Acid can be used in the synthesis of pyrazinoisoquinoline compounds as antiparasitic agents. Also used in the synthesis of benzoic anhydride and its derivatives for the synthesis of lactones.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
Anbieter12 Anbieter
盐城通铭生物科技有限公司
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