기본 정보
- CAS
23726-92-3- 표준 SMILES
C/C=C\C(=O)C1=C(C)CCCC1(C)C- InChIKey
BGTBFNDXYDYBEY-ALCCZGGFSA-N- 분자식
- C13H20O
- 평균 분자량
- 192.3 g/mol
- 단동위원소 질량
- 192.15141526
개요
See also: beta-DAMASCONE (annotation moved to).
이름 및 식별자
- 우선 이름
- beta-Damascone, (Z)-
- IUPAC
- (Z)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
- 현지명
- 시스-로즈케톤-2
- 영어명
- (Z)-beta-damascone
- 분자식
- C13H20O
- 분자량
- 192.3
이름 및 동의어
23726-92-3(Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-onebeta-Damascone, (Z)-(Z)-beta-damascone074X5R04IQEINECS 245-843-72-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-(Z)-.BETA.-DAMASCONEDTXSID6051487.BETA.-DAMASCONE, (Z)-FEMA NO. 3243, Z-cis-2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
이름 더 보기
시스-로즈케톤-2DAMASCONE(Z)-β-DamasconeFEMA 3243Fema no. 32434-Acetoxy-βDAMASCONE (BETA)(Z)-beta-Damascone analytical standard2,6,6-Trimethylcyclohex-1-Enyl)-but-2-en-4-one
RefChem:567819(2Z)-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-oneDTXCID5030452245-843-7Z-beta-damascone(Z)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one(Z)-1-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-2-en-1-one(2Z)-1-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)BUT-2-EN-1-ONE
데이터베이스 식별자
- CAS
23726-92-3
물성
구조 계산 물성
- XLogP
- 3.5
- 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
- 292
실험 및 물리화학적 성질
FragrancesFragrance Ingredient ((Z)-beta-1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one) -> IFRA transparency List
Density0.934-0.942 (20 °C)
Solubility1 ml in 10 ml 95% (in ethanol)
Boiling Point67-70 °C
Refractive Index1.496-1.501
Physical Descriptioncolourless to pale yellow liquid with a complex fruity floral odour
물리화학적 성질
- 끓는 점
- 271.2 · 271.2±10.0 °C(Predicted)
- 밀도
- 0.934 g/mL · 0.934 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.498
- FEMA
- 3243 · 3243 | 1-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2-BUTEN-1-ONE
- 저장 조건
- 2 · 2-8°C
- 냄새
- 1 % · 디프로필렌 글리콜 중 1.00%. 과일향이 나는 꽃무늬 블랙커런트 담배
- 냄새 유형
- 과일 같은
- 수용성
- 192.3 mg/L · 192.3mg/L(온도 미공개)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (81.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P272, P273, P280, P302+P352, P321, P332+P317, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1612 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
유해성 정보
Regulatory Information
Chemical: 2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z)-
2-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 standard
Other Safety InformationIMAP assessments - Damascones: Human health tier II assessment
Hazard Classes and Categories
Skin Irrit. 2 (81.4%)
Skin sensitisation - category 1
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- EN0340000
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37
- F 고인화성물질
- 10-23
화학 및 산업
용도 및 제조
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information2-Buten-1-one, 1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2Z)-: ACTIVE
상·하류 제품 정보
상류 원료
공급사48 곳
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
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