Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
Grundinformationen
- CAS
22471-55-2- Standard-SMILES
CCOC(=O)[C@@H]1[C@@H](C)CCCC1(C)C- InChIKey
TUEUDXZEBRMJEV-UWVGGRQHSA-N- Summenformel
- C12H22O2
- Durchschnittliche Molmasse
- 198,3 g/mol
- Monoisotopische Masse
- 198,16197994
Namen und Bezeichner
- Bevorzugter Name
- Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
- IUPAC
- trans-ethyl (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylate
- Englischer Name
- Cyclohexanecarboxylicacid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
- Summenformel
- C12H22O2
- Molmasse
- 198.3
Namen und Synonyme
22471-55-2Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-RefChem:129564trans-Ethyl 2,2,6-trimethylcyclohexanecarboxylateEthyl (1R,6S)-2,2,6-trimethylcyclohexane-1-carboxylateSCHEMBL4608105DTXSID4051875TUEUDXZEBRMJEV-UWVGGRQHSA-NEthyl (1R,6S)-2,2,6-trimethylcyclohexanecarboxylatethesaron (Takasago)Ethyl trans-2,2,6-trimethylcyclohexanecarboxylate2,2,6-trimethylcyclohexanecarboxylicacidethylester
Weitere Namen anzeigen
Cyclohexanecarboxylicacid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-
Datenbank-Bezeichner
- CAS
22471-55-2- PubChem CID
- 11735763
- DTXSID
DTXSID4051875- EC Number
- 412-540-8、685-419-2
- Nikkaji
- J1.870.265G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,8
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 208
Experimentelle und physikochemische Eigenschaften
FragrancesFragrance Ingredient (Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-) -> IFRA transparency List
Physical DescriptionLiquid
Physikochemische Eigenschaften
- Siedepunkt
- 228 ℃[at · 228℃[at 101 325 Pa]
- Dichte
- 0.926 · 0.926[at 20℃]
- Dampfdruck
- 29.85 Pa · 29.85Pa at 25℃
- Geruch (Odor)
- 100 % · at 100.00 %. fruity floral rose amber
- Geruchsart
- fruity
- Wasserlöslichkeit
- 31.2 mg/L · 31.2mg/L at 20℃
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCE
- LogP
- 4.5 at · 4.5 at 20.5℃
- EPA chemische Informationen
- 2 · Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel- (22471-55-2)
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 237 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel- 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Ethyl trans-2,2,6-trimethylcyclohexanecarboxylate (EC: 412-540-8)
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 20,635 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 14 consumer products that contain Ethyl trans-2,2,6-trimethylcyclo-hexanecarboxylate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Other (requires additional information)
Cyclohexanecarboxylic acid, 2,2,6-trimethyl-, ethyl ester, (1R,6S)-rel-: ACTIVE
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