기본 정보
- CAS
28645-51-4- 표준 SMILES
O=C1CCCCCCC/C=C\CCCCCCO1- InChIKey
QILMAYXCYBTEDM-IWQZZHSRSA-N- 분자식
- C16H28O2
- 평균 분자량
- 252.39 g/mol
- 단동위원소 질량
- 252.20893013
개요
Isoambrettolide is a macrolide.
이름 및 식별자
- 우선 이름
- Isoambrettolide, (Z)-
- IUPAC
- (10Z)-1-oxacycloheptadec-10-en-2-one
- 영어명
- AMBRETTOLIDE
- 분자식
- C16H28O2
- 분자량
- 252.39
이름 및 동의어
Cis-isoambrettolideIsoambrettolide, (Z)-FEMA no. 4145, Z-UNII-9UY96U8Y3J9UY96U8Y3JOxacycloheptadec-10-en-2-one, (Z)-Oxacycloheptadec-10-en-2-one, (10Z)-93635-21-3RefChem:201270IsoambrettolideOxacycloheptadec-10-en-2-one(10Z)-1-oxacycloheptadec-10-en-2-one
이름 더 보기
FEMA 2555HEXADECEN-8-OLIDEOMEGA-6-HEXADECENLACTONE16-HYDROXY-7-HEXADECENOIC ACID O-LACTONEAMBRETTOLIDEFema no. 2555Ambrettolide 1832003
28645-51-4NSC31697UNII-0DI2GU512Fomega-6-Hexadecenlactone (natural)EINECS 249-120-7NSC 316979-Hexadecenoic acid, 16-hydroxy-, o-lactone0DI2GU512F
데이터베이스 식별자
- CAS
28645-51-4、93635-21-3- PubChem CID
- 5355293
- ChEBI
CHEBI:192212- UNII
- 9UY96U8Y3J
- EC Number
- 249-120-7
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 18
- 형식 전하
- 0
- 복잡도
- 233
실험 및 물리화학적 성질
LogP6.510
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.949-0.957
Solubility
Soluble in non-polar solvents; insoluble in water
Soluble (in ethanol)
Boiling Point
185.00 to 190.00 °C. @ 16.00 mm Hg
1.5-1.6 °C (0.1 mm Hg)
Refractive Index1.477-1.482
Physical Description
CBI
Clear colourless or pale yellow liquid; Sweet musky fruity aroma
물리화학적 성질
- 끓는 점
- 185 · 185-190 °C16 mm Hg(lit.)
- 밀도
- 0.956 g/mL · 0.956 g/mL at 25 °C(lit.)
- 증기압
- 0.003 Pa · 0.003Pa at 25℃
- 굴절률
- 20 · n20/D 1.479(lit.)
- FEMA
- 4145 · 4145 | ISOAMBRETTOLIDE
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 96.9% (1639 of 1692) of all reports.
Not Classified
Aggregated GHS information provided per 1692 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Oxacycloheptadec-10-en-2-one
Oxacycloheptadec-10-en-2-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxacycloheptadec-10-en-2-one 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)
REACH registered substance: Oxacycloheptadec-10-en-2-one (EC: 249-120-7)
Oxacycloheptadec-10-en-2-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Oxacycloheptadec-10-en-2-one: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- 독성
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg(Wohl, 1974).
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-27444
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: <75,000 lb
Consumer UsesFragrance
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationOxacycloheptadec-10-en-2-one: ACTIVE
응용 분야
출처Found in oil of ambrette seed[Givaudan Index, 1961).
제조 방법
From bromohexadecenoic acid(Bedoukian, 1967).
생산 방법Many patented methods are known, few are commercially feasible. From Bromo hexadecenoic acid, or from Dihydroxy palmitic acid, or from Aleuritic acid, or from Juniperic acid, etc.
상·하류 제품 정보
하류 제품
공급사56 곳
Shandong Deshang Chemical Co., Ltd.+86-0531-8875-2665 +86-13153039501 · [email protected]
武汉欣扬瑞和化学科技有限公司
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