기본 정보
- CAS
37609-25-9- 표준 SMILES
O=C1CCCC=CCCCCCCCCCC1- InChIKey
ABRIMXGLNHCLIP-UHFFFAOYSA-N- 분자식
- C16H28O
- 평균 분자량
- 236.39 g/mol
- 단동위원소 질량
- 236.21401552
개요
structure in first source
이름 및 식별자
- 우선 이름
- 5-Cyclohexadecen-1-one
- IUPAC
- cyclohexadec-5-en-1-one
- 현지명
- 5-사이클로헥사데센-1-온
- 영어명
- 5-Cyclohexadecen-1-one
- 분자식
- C16H28O
- 분자량
- 236.39
이름 및 동의어
5-Cyclohexadecen-1-one37609-25-9DTXSID80471391DAH7E9E0DDTXCID6027139RefChem:535108253-568-95-Cyclohexadecenonecyclohexadec-5-en-1-oneMFCD00059511UNII-1DAH7E9E0DEINECS 253-568-9
이름 더 보기
5-사이클로헥사데센-1-온사이클로헥사데세논5-사이클로헥사데센-1-원VELVIONEAMBRETONEVelvione 1382293Cyclohexadeceneone5-Cyclohexadecen-1-onCyclohexadecen-1-one,5-5-Cyclohexadecene-1-one
1-cyclohexadecen-6-onemusk amberolSCHEMBL113068CHEMBL3188464NS00012153F868668
데이터베이스 식별자
- CAS
37609-25-9- PubChem CID
- 162268
- DTXSID
DTXSID8047139- ChEMBL
CHEMBL3188464- EC Number
- 253-568-9
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 17.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 1
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 218
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (5-Cyclohexadecen-1-one) -> IFRA transparency List
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 25 °C · 25 °C
- 끓는 점
- 120 °C · 120 °C / 1mmHg
- 밀도
- 0.93 · 0.93
- 증기압
- 0.02 Pa · 0.02Pa at 20℃
- 인화점
- 166 °C · 166 °C
- 물리적 상태
- 액체
- 색상
- 흰색에서 거의 흰색
- 냄새
- 10 % · 디프로필렌 글리콜 중 10.00%. 드라이 파우더리 머스크 앰버 사향고양이
- 냄새 유형
- 사향
- 화장품 원료 기능
- 향수
- InChI
- 1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2/b8-6-
- InChIKey
- ABRIMXGLNHCLIP-VURMDHGXSA-N
- SMILES
- O=C1CCCCCCCCCCC=CCCC1
- LogP
- 5.8 · 5.8-6.4 at 20-35℃ and pH7-7.2
- EPA
- 5 · 5-Cyclohexadecen-1-one (37609-25-9)
화학적 성질
5-CYCLOHEXADECEN-1-ONE is commercially available as a 40 : 60 mixture of its (Z)- and (E)-isomers. It is a colorless liquid with an intense musk odor. A three-step synthesis starts from cyclododecanone. Reaction with chlorine gives 2-chlorocyclododecanone, which is reacted with 2 mol of vinyl magnesium chloride to give 1,2-divinylcyclododecan-l-ol. This is finally converted into 5-cyclohexadecen-1-one by an oxy-Cope rearrangement. 5-Cyclohexadecen-l-one can be added to perfume compositions as a substitute for the natural macrocyclic ketone musks：
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 95.2% (1546 of 1624) of all reports.
Not Classified
Aggregated GHS information provided per 1624 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 5-Cyclohexadecen-1-one
5-Cyclohexadecen-1-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 5-Cyclohexadecen-1-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)
Status: Active Update: 28-02-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19655
5-Cyclohexadecen-1-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Exaltone and related macrocyclic musks
Hazard Classes and CategoriesNot Classified
안전 데이터
- wgk
- WGK 2
- tsca
- TSCA listed
- HS 번호
- 2914.29.5000
- 기존화학 물질
- 2010-3-4202
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
용도 및 제조
U.S. Production2023: 38,401 lb
Consumer UsesFragrance
Industry UsesFragrance
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
5-Cyclohexadecen-1-one: ACTIVE
공급사71 곳
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