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HCID 32052Erstellt: 26. Oktober 2026

(Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on

DAMASCONE · (Z)-β-Damascone · FEMA 3243 · Fema no. 3243 · 4-Acetoxy-βDAMASCONE (BETA) · Einecs 245-843-7 · (Z)-beta-Damascone · (Z)-beta-Damascone analytical standard

https://huagongshe.com/de/chemical/32052

Molekülstruktur von (Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on

Identifikatoren & physikalische Daten

CAS No.23726-92-3
SummenformelC13H20O
Durchschnittliche Molmasse192,3 g/mol
Monoisotopische Masse192,15141526 g/mol
SMILESCC=CC(=O)C1=C(C)CCCC1(C)C
InChIKeyBGTBFNDXYDYBEY-UHFFFAOYSA-N
PubChem CID32052
EC No.620-561-0
DTXSIDDTXSID1067885
Lokaler Name(Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-on

Chemische & physikalische Eigenschaften

XLogP3,5
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen2
Schwere Atome14
Formalladung0
Komplexität292
DuftstoffeFragrance Ingredient (beta-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one) -> IFRA transparency List
LebensmittelzusatzstoffeFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Siedepunkt271.2±10.0 °C(Predicted)
Dichte0.934 g/mL at 20 °C(lit.)
Brechungsindexn20/D 1.498
FEMA3243 | 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
Lagerbedingungen2-8°C
Geruchat 1.00 % in dipropylene glycol. fruity floral blackcurrant tobacco
Geruchsartfruity
Löslichkeit192.3mg/L(temperature not stated)
JECFA Number384
StabilitätLight Sensitive
Kosmetik-Inhaltsstoffe FunktionenPERFUMING
LogP (Verteilungskoeffizient)3.312 (est)
EPA chemische Informationen2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)- (23726-92-3)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 0.4% (1 of 275) of reports.WarningH317 (99.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 275 reports by companies from 4 notifications to the ECHA C&L Inventory.
Regulatorische Informationen2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: Does not have an individual approval but may be used under an appropriate group standard2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1B (99.6%)
F10-23
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
RTECS-Nr.EN0340000
R-Sätze (R)43
GefahrensymboleXi
Sicherheitshinweise (S)36/37