Grundinformationen
- CAS
24691-16-5- Standard-SMILES
CC(=O)OC1CC(C)CC(C)(C)C1- InChIKey
OIVWFAFCHQDCCG-UHFFFAOYSA-N- Summenformel
- C11H20O2
- Durchschnittliche Molmasse
- 184,27 g/mol
- Monoisotopische Masse
- 184,14632988
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- 3,3,5-Trimethylcyclohexyl acetate
- IUPAC
- (3,3,5-trimethylcyclohexyl) acetate
- Lokaler Name
- 3,3,5-Trimethylcyclohexylacetat
- Englischer Name
- Acetic acid cis-3,3,5-trimethylcyclohexyl ester
- Summenformel
- C11H20O2
- Molmasse
- 184.28
Namen und Synonyme
3,3,5-Trimethylcyclohexyl acetate67859-96-5Homomenthyl acetate3,3,5-Trimethylcyclohexanol acetateCyclohexanol, 3,3,5-trimethyl-, acetateUNII-QDX18ED83BCyclohexanol, 3,3,5-trimethyl-, 1-acetateQDX18ED83B3,3,5-TrimethylcyclohexylacetateEINECS 267-430-0HOMOMENTHOL ACETATEFEMA NO. 4512
Weitere Namen anzeigen
MintonatAcetic acid homomenthyl ester3,3,5-trimethyl-cyclohexanoacetate(3,3,5-trimethylcyclohexyl) ethanoate3, 3, 5-Trimethylcyclohexyl acetate, 99+%
DTXSID30867365RefChem:90757DTXCID60815556(+-)-3,3,5-TRIMETHYLCYCLOHEXYL ACETATE3,3,5-TRIMETHYLCYCLOHEXYL ACETATE, (+-)-267-430-0(3,3,5-trimethylcyclohexyl) acetatecis-3,3,5-Trimethylcyclohexyl acetate
Datenbank-Bezeichner
- CAS
24691-16-5、67859-96-5- PubChem CID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 196
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (3,3,5-Trimethylcyclohexyl acetate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.913-0.924 (20 °C)
Solubility
Practically insoluble or insoluble in water
Soluble (in ethanol)
Boiling Point108-110 °C (13 mm Hg)
Refractive Index1.437-1.445
Physical Description
Liquid
Clear colourless liquid; Mint herbal lavandin sweet aroma
Physikochemische Eigenschaften
- Schmelzpunkt
- -60 °C · -60 °C
- Siedepunkt
- 211 °C · 211 °C
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 80.6% (104 of 129) of all reports.
H411 (19.4%): 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 129 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Cyclohexanol, 3,3,5-trimethyl-, acetate
Cyclohexanol, 3,3,5-trimethyl-, 1-acetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanol, 3,3,5-trimethyl-, 1-acetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Cyclohexanol, 3,3,5-trimethyl-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAquatic Chronic 2 (19.4%)
Sicherheitsdaten
- tsca
- TSCA listed
- safety_code
- 24/25
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Cyclohexanol, 3,3,5-trimethyl-, 1-acetate: ACTIVE
Anbieter9 Anbieter
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
湖北世腾化工科技有限公司19086915685 18971850150 · [email protected]
BOC Sciences[email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
湖北东曹化学科技有限公司027-83238443 13343438265 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
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