기본 정보
- CAS
23726-94-5- 표준 SMILES
CC=CC(=O)C1C(C)=CCCC1(C)C- InChIKey
CRIGTVCBMUKRSL-UHFFFAOYSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
used in skin testing for immune competence; structure given in first source
이름 및 식별자
- 우선 이름
- 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
- 영어명
- (Z)-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-buten-1-one
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
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
이름 더 보기
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
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 282
실험 및 물리화학적 성질
CosmeticsMasking
FragrancesFragrance Ingredient (cis-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-2-Buten-1-one) -> IFRA transparency List
Physical DescriptionCBI
물리화학적 성질
- 끓는 점
- 267.1 · 267.1±29.0 °C(Predicted)
- 밀도
- 0.898 · 0.898±0.06 g/cm3(Predicted)
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 꽃무늬 장미 사과 과일향
- 냄새 유형
- 꽃향기
- 화장품 원료 기능
- 향기향수
- LogP
- 3.436 · 3.436 (est)
- EPA
- 2 · 2-Buten-1-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (2Z)- (23726-94-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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]
유해성 정보
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
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-34481
화학 및 산업
용도 및 제조
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
상·하류 제품 정보
상류 원료
공급사2 곳
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]
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