(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-on
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone
Grundinformationen
- CAS
23726-94-5- Standard-SMILES
CC=CC(=O)C1C(C)=CCCC1(C)C- InChIKey
CRIGTVCBMUKRSL-UHFFFAOYSA-N- Summenformel
- C13H20O
- Durchschnittliche Molmasse
- 192,3 g/mol
- Monoisotopische Masse
- 192,15141526
Überblick
used in skin testing for immune competence; structure given in first source
Namen und Bezeichner
- Bevorzugter Name
- 1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone
- IUPAC
- 1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
- Lokaler Name
- (Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-on
- Englischer Name
- (Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
- Summenformel
- C13H20O
- Molmasse
- 192.3
Namen und Synonyme
DTXSID0052097TMCHB1-(2,6,6-TRIMETHYL-2-CYCLOHEXEN-1-YL)-2-BUTENONERefChem:467430DTXCID1010650444-(2,6,6-Trimethyl-2-cyclohexenyl)-2-buten-4-one23726-94-5a-Damascone (>90%)2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-a-damascone(e)-alpha-damascone(Z)-alpha-damascone
Weitere Namen anzeigen
CIS-ALPHA-DAMASCONEMethyl Turkic Ketonecis-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one(Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one(Z)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-en-1-one1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-cis-2-Buten-1-one1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-2-Buten-1-one
SCHEMBL454167f inverted question mark-DamasconeD64432,6,6-trimethyl-1-(but-2-enoyl)-cyclohex-2-ene1-(2,6,6-trimethylcyclohex-2-en-1-yl) but-2-en-1-one
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 17,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 282
Experimentelle und physikochemische Eigenschaften
CosmeticsMasking
FragrancesFragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List
Physical DescriptionCBI
Physikochemische Eigenschaften
- Siedepunkt
- 267.1 · 267.1±29.0 °C(Predicted)
- Dichte
- 0.898 · 0.898±0.06 g/cm3(Predicted)
- Geruch (Odor)
- 1 % · at 1.00 % in dipropylene glycol. floral rose apple fruity
- Geruchsart
- floral
- Kosmetik-Inhaltsstoffe Funktionen
- FRAGRANCEPERFUMING
- LogP
- 3.436 · 3.436 (est)
- EPA chemische Informationen
- 2 · 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 275 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
Gefahrenhinweise
Regulatory Information
Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)- 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)
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: 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.
Other Safety InformationIMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories
Acute Tox. 4 (100%)
Skin sensitisation - category 1
Sicherheitsdaten
- tsca
- TSCA listed
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: <50,000 lb
Consumer UsesFragrance
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Masking
General Manufacturing Information
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)-: ACTIVE
2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2E)-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter2 Anbieter
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
湖北美索伦科技有限公司13419562052 13419562052 · [email protected]
Zugehörige Reaktionen
2
Notizen zur Verbindung
Wird geladen…