Cyclohexanecarboxylic acid

HCID 178753247
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Grundinformationen

CAS
26764-36-3
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 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
FEMA 3531AKOS BBS-00003723TIMTEC-BB SBB008550RARECHEM AL BO 1301
NSC-452DTXSID8059180CHEBI:36096RefChem:919389DTXCID1049063202-711-3Cyclohexane-1-carboxylateCyclohexadienecarboxylicacid

Datenbank-Bezeichner

CAS
26764-36-3
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

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Benzoic Acid Derivatives
SpringerMaterials PropertiesDensity
FragrancesFragrance Ingredient (Cyclohexanecarboxylic acid) -> IFRA transparency List
LogP · 2 Einträge

1.96

1.96

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.029-1.037

Physikochemische Eigenschaften

Schmelzpunkt
29 · 29-31 °C(lit.)
Siedepunkt
232 · 232-233 °C(lit.)
Dichte
1.033 g/mL · 1.033 g/mL at 25 °C(lit.)
FEMA
3531 · 3531 | CYCLOHEXANECARBOXYLIC ACID
Brechungsindex
20 · n20/D 1.461(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 4 Einträge

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%)

Sicherheitsdaten

wgk
2
RTECS-Nr.
GU8370000
risk_code
37/38-41
hazard_code
Xi
safety_code
26-36

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 · 6 Einträge

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 · 2 Einträge

Cyclohexanecarboxylic acid: ACTIVE

Cyclohexanecarboxylic acid, lead salt (1:?): ACTIVE

Anbieter4 Anbieter

陕西麟邦实业有限公司17709134430 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
重庆卡兰医药有限公司[email protected]

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