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HCID 62002Erstellt: 31. Oktober 2026

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

(Z)-alpha-damascone · CIS-ALPHA-DAMASCONE · Methyl Turkic Ketone · cis-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-one · 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-cis-2-Buten-1-one · 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (Z)-2-Buten-1-one

https://huagongshe.com/de/chemical/62002

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

Identifikatoren & physikalische Daten

CAS No.	23726-94-5
Summenformel	C13H20O
Durchschnittliche Molmasse	192,3 g/mol
Monoisotopische Masse	192,15141526 g/mol
SMILES	CC=CC(=O)C1C(C)=CCCC1(C)C
InChIKey	CRIGTVCBMUKRSL-UHFFFAOYSA-N
PubChem CID	62002
EC No.	245-845-8
DTXSID	DTXSID0052097
Lokaler Name	(Z)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-on

Chemische & physikalische Eigenschaften

XLogP	3,2
Polarare Oberfläche (TPSA)	17,1
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	2
Schwere Atome	14
Formalladung	0
Komplexität	282
Kosmetika	Masking
Duftstoffe	Fragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List
Physical Description	CBI
Siedepunkt	267.1±29.0 °C(Predicted)
Dichte	0.898±0.06 g/cm3(Predicted)
Geruch	at 1.00 % in dipropylene glycol. floral rose apple fruity
Geruchsart	floral
Kosmetik-Inhaltsstoffe Funktionen	FRAGRANCEPERFUMING
LogP (Verteilungskoeffizient)	3.436 (est)
EPA chemische Informationen	2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (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.H302: Harmful if swallowed [Warning Acute toxicity, oral]
Regulatorische Informationen	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.
Weitere Sicherheitsinformationen	IMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin sensitisation - category 1
TSCA-Inventar-Status	TSCA listed

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

CAS No.

23726-94-5

Summenformel

C13H20O

Durchschnittliche Molmasse

192,3 g/mol

Monoisotopische Masse

192,15141526 g/mol

SMILES

CC=CC(=O)C1C(C)=CCCC1(C)C

InChIKey

CRIGTVCBMUKRSL-UHFFFAOYSA-N

PubChem CID

62002

EC No.

245-845-8

DTXSID

DTXSID0052097

Lokaler Name

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

Chemische & physikalische Eigenschaften

XLogP

3,2

Polarare Oberfläche (TPSA)

17,1

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

282

Kosmetika

Masking

Duftstoffe

Fragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List

Physical Description

CBI

Siedepunkt

267.1±29.0 °C(Predicted)

Dichte

0.898±0.06 g/cm3(Predicted)

Geruch

at 1.00 % in dipropylene glycol. floral rose apple fruity

Geruchsart

floral

Kosmetik-Inhaltsstoffe Funktionen

FRAGRANCEPERFUMING

LogP (Verteilungskoeffizient)

3.436 (est)

EPA chemische Informationen

2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (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.H302: Harmful if swallowed [Warning Acute toxicity, oral]

Regulatorische Informationen

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.

Weitere Sicherheitsinformationen

IMAP assessments - Damascones: Human health tier II assessment

Hazard Classes and Categories

Acute Tox. 4 (100%)Skin sensitisation - category 1

TSCA-Inventar-Status

TSCA listed