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HCID 62002생성일: 2026년 11월 2일

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone

(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/ko/chemical/62002

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone 분자 구조식

식별자 및 물리적 특성

CAS No.	23726-94-5
분자식	C13H20O
평균 분자량	192.3 g/mol
단동위원소 질량	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

화학 및 물리적 성질

XLogP	3.2
극성 표면적	17.1
수소 결합 공여자 수	0
수소 결합 수용자 수	1
회전 가능 결합 수	2
무거운 원자 수	14
형식 전하	0
복잡도	282
화장품	Masking
향료	Fragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List
Physical Description	CBI
끓는 점	267.1±29.0 °C(Predicted)
밀도	0.898±0.06 g/cm3(Predicted)
냄새	디프로필렌 글리콜 중 1.00%. 꽃무늬 장미 사과 과일향
향취 유형	꽃향기
화장품 원료 기능	향기향수
LogP(분배 계수)	3.436 (est)
EPA	2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)

안전 및 규제

GHS 분류	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]
규제 정보	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.
기타 안전 정보	IMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories	Acute Tox. 4 (100%)Skin sensitisation - category 1
TSCA 등재 상태	TSCA listed
기존화학 물질	KE-34481

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-butenone

CAS No.

23726-94-5

분자식

C13H20O

평균 분자량

192.3 g/mol

단동위원소 질량

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

화학 및 물리적 성질

XLogP

3.2

극성 표면적

17.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

282

화장품

Masking

향료

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

Physical Description

CBI

끓는 점

267.1±29.0 °C(Predicted)

밀도

0.898±0.06 g/cm3(Predicted)

냄새

디프로필렌 글리콜 중 1.00%. 꽃무늬 장미 사과 과일향

향취 유형

꽃향기

화장품 원료 기능

향기향수

LogP(분배 계수)

3.436 (est)

EPA

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

안전 및 규제

GHS 분류

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]

규제 정보

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.

기타 안전 정보

IMAP assessments - Damascones: Human health tier II assessment

Hazard Classes and Categories

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

TSCA 등재 상태

TSCA listed

기존화학 물질

KE-34481