헥사데칸슈르,3,7-디메틸-2,6-옥탄디에닐에스테르,(E)-
Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
기본 정보
- CAS
3681-73-0- 표준 SMILES
CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)CCC=C(C)C- InChIKey
CRFQQFDSKWNZIZ-YYDJUVGSSA-N- 분자식
- C26H48O2
- 평균 분자량
- 392.7 g/mol
- 단동위원소 질량
- 392.36543077
이름 및 식별자
- 우선 이름
- Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
- IUPAC
- [(2E)-3,7-dimethylocta-2,6-dienyl] hexadecanoate
- 현지명
- 헥사데칸슈르,3,7-디메틸-2,6-옥탄디에닐에스테르,(E)-
- 영어명
- Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-
- 분자식
- C26H48O2
- 분자량
- 392.66
이름 및 동의어
geranyl palmitate(E)-3,7-dimethyl-2,6-octadienylhexadecanoateEC 421-370-3Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl esterRefChem:785986421-370-3Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester3681-73-0HexaroseSCHEMBL581108(2E)-3,7-dimethylocta-2,6-dien-1-yl hexadecanoateDTXSID7074404
이름 더 보기
헥사데칸슈르,3,7-디메틸-2,6-옥탄디에닐에스테르,(E)-3,7-dimethyl-2,6-octadienyl ester, (E)-Hexadecanoic acid
NS00020807(E)-3,7-Dimethylocta-2,6-dien-1-yl palmitate2,6-Octadien-1-ol, 3,7-dimethyl-palmitate, trans-Hexadecansure, 3,7-dimethyl-2,6-octandienyl ester, (E)-Palmitic acid, 3,7-dimethyl-2,6-octadienyl ester, trans-Hexadecanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
데이터베이스 식별자
- CAS
3681-73-0- PubChem CID
- 11246350
- DTXSID
DTXSID7074404- EC Number
- 421-370-3
- Nikkaji
- J437.150J
물성
구조 계산 물성
- XLogP
- 10.8
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 20
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 416
실험 및 물리화학적 성질
Physical DescriptionCBI
물리화학적 성질
- 끓는 점
- 476.8 · 476.8±24.0 °C(Predicted)
- 밀도
- 0.876 · 0.876±0.06 g/cm3(Predicted)
- EPA
- 2 E)-3,7-dimethyl-2,6-octadienyl · Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester (3681-73-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: (E)-3,7-dimethyl-2,6-octadienylhexadecanoate (EC: 421-370-3)
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin irritation - category 2
Skin Irrit. 2
안전 데이터
- tsca
- TSCA listed
- risk_code
- 38-53
- hazard_code
- Xi
- safety_code
- 37-61
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesFragrance
General Manufacturing InformationHexadecanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester: ACTIVE
상·하류 제품 정보
상류 원료
관련 반응
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