CAS 2511-00-4 Ethyl 2-cyclohexylpropionate (HCID 160641)

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Grundinformationen

CAS: 2511-00-4
Standard-SMILES: CCOC(=O)C(C)C1CCCCC1
InChIKey: PZUDDXJZNSJESK-UHFFFAOYSA-N
Summenformel: C11H20O2
Durchschnittliche Molmasse: 184,27 g/mol
Monoisotopische Masse: 184,14632988

Namen und Bezeichner

Bevorzugter Name: Ethyl 2-cyclohexylpropionate
IUPAC: ethyl 2-cyclohexylpropanoate
Englischer Name: ETHYL CYCLOHEXYL PROPIONATE
Summenformel: C11H20O2
Molmasse: 184.28

Namen und Synonyme

Ethyl 2-cyclohexylpropionateethyl 2-cyclohexylpropanoatePoirenateCyclohexaneacetic acid, .alpha.-methyl-, ethyl esterCyclohexaneacetic acid, alpha-methyl-, ethyl esterethyl cyclohexyl propionateUNII-2CR413Z52J2CR413Z52JDTXSID90862977EC 412-280-5RefChem:138598DTXCID90811667

Weitere Namen anzeigen

α-methyl-Cyclohexaneacetic acid, ethyl esterα-methyl-Cyclohexaneacetic acid, ethyl esterCyclohexaneacetic acid, α-methyl-, ethyl ester

ETHYL CYCLOHEXYL PROPIONATE [INCI]412-280-52511-00-4ethyl 2-cyclohexyl propionateSCHEMBL1006462SCHEMBL3041880SCHEMBL4005670ALBB-038063

Datenbank-Bezeichner

CAS: 2511-00-4
PubChem CID: 160641
DTXSID: DTXSID90862977
UNII: 2CR413Z52J
EC Number: 412-280-5、687-641-5
Nikkaji: J160.453H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,7
Polarare Oberfläche (TPSA): 26,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 159

Experimentelle und physikochemische Eigenschaften

FragrancesFragrance Ingredient (Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester) -> IFRA transparency List

Physikochemische Eigenschaften

Siedepunkt: 100 °C · 100 °C(Press: 15 Torr)
Dichte: 0.944 · 0.944±0.06 g/cm3(Predicted)
Dampfdruck: 21.9 Pa · 21.9Pa at 25℃
Geruch (Odor): 100 % · at 100.00 %. fruity green pear
Geruchsart: fruity
Kosmetik-Inhaltsstoffe Funktionen: FRAGRANCE
LogP: 4.03 at · 4.03 at 25℃
Oberflächenspannung: 64.9 mN/m · 64.9mN/m at 1.3g/L and 22℃
EPA chemische Informationen: Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester (2511-00-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 0.8% (11 of 1375) of reports.

H411 (99.2%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1375 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 17-04-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/11281

Cyclohexaneacetic acid, .alpha.-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 4 Einträge

Aquatic Chronic 2 (99.2%)

Aquatic Chronic 2 (100%)

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

Sicherheitsdaten

tsca: TSCA listed
risk_code: 51/53
Toxizität: rat,LC50,inhalation,> 5400mg/m3/4H (5400mg/m3),LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATIONBEHAVIORAL: FOOD INTAKE (ANIMAL),National Technical Information Service. Vol. OTS0573820,
hazard_code: N
safety_code: 61

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationFragrance Ingredients

General Manufacturing InformationCyclohexaneacetic acid, .alpha.-methyl-, ethyl ester: ACTIVE

Anwendungen · 1 Eintrag

VerwendenEthyl cyclohexane propionate is suggested for use in perfumery, mainly in fragrances for household products, where power and low cost partly monitor the creation. lt finds some use in flavor compositions, mainly as a power factor in Pineapple imitations, and as a modifier for the conventional Allylcaproate and Allyl cyclohexane propionate. It is sweeter than both, but less typical of Pineapple.