헥사데카노락톤
Hexadecanolide
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기본 정보
- CAS
109-29-5- 표준 SMILES
O=C1CCCCCCCCCCCCCCCO1- InChIKey
LOKPJYNMYCVCRM-UHFFFAOYSA-N- 분자식
- C16H30O2
- 평균 분자량
- 254.41 g/mol
- 단동위원소 질량
- 254.2245802
개요
16-Hexadecanolide is a macrolide.
이름 및 식별자
- 우선 이름
- Hexadecanolide
- IUPAC
- oxacycloheptadecan-2-one
- 현지명
- 헥사데카노락톤
- 영어명
- 16-Hexadecanolide
- 분자식
- C16H30O2
- 분자량
- 254.41
이름 및 동의어
109-29-5OXACYCLOHEPTADECAN-2-ONECyclohexadecanolidehexadecanolactoneHexadecanolideJuniperic acid lactone16-Hexadecanolactone1,16-HexadecanolideDTXSID4047622NSC-3354664E2HO00C7DTXCID2027622
이름 더 보기
헥사데카노락톤juniper musconeCYCLOHEXADECENOLIDENSC 33546BRN 0148631
RefChem:786039203-662-016-HexadecanolideDihydroambrettolide1-oxacycloheptadecan-2-one1,16-Hexadecanolactone16-Hydroxyhexadecanoic acid lactoneMFCD00039668
데이터베이스 식별자
- CAS
109-29-5- PubChem CID
- 7984
- DTXSID
DTXSID4047622- ChEMBL
CHEMBL3189021- ChEBI
CHEBI:179821- UNII
- 64E2HO00C7
- EC Number
- 203-662-0
- Nikkaji
- J65.679H
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 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
- 201
실험 및 물리화학적 성질
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
CosmeticsCosmetics ingredient -> Fragrance
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Hexadecanolide) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionLiquid
물리화학적 성질
- 녹는점
- 34 · 34-38 °C(lit.)
- 끓는 점
- 188 °C · 188 °C / 15mmHg
- 밀도
- 0.94 · 0.94
- 굴절률
- 20 · n20/D1.4680-1.4730
- 인화점
- 100 °C · >100°C
- 저장 조건
- -20 °C · -20°C
- 물리적 상태
- solid
- 색상
- 에탄올에서 결정이 형성됨
- 냄새
- 사향 냄새
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 86.3% (271 of 314) of all reports.
Warning
H315 (13.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 314 reports by companies from 4 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Oxacycloheptadecan-2-one
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Oxacycloheptadecan-2-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxacycloheptadecan-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)
Status: Active Update: 20-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24078
Oxacycloheptadecan-2-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Oxacycloheptadecan-2-one: Human health tier I assessment
Hazard Classes and CategoriesSkin Irrit. 2 (13.7%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- RN9730000
- 독성
- CYCLOHEXADECANOLIDE DIHYDROAMBRETTOLIDE 1,16-HEXADECANOLACTONE HEXADECANOLIDE 16-HYDROXYHEXADECANOIC ACID LACTONE JUNIPERIC ACID LACTONE
- HS 번호
화학 및 산업
용도 및 제조
U.S. Production2023: 75,044 lb
Consumer UsesFragrance
Industry UsesFragrance
Household Products
Cosmetics product ingredient: Oxacyclohepta-decan-2-one (Hexadecanolactone)
Information on 2 consumer products that contain Hexadecanolactone in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Oxacycloheptadecan-2-one: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
용도16-Hexadecanolide is used in the manfacturing of perfumes. It acts as masking agents.
제조 방법
By the persulphuric acid (or other peracid) oxidation of cyclohexadecanone.
상·하류 제품 정보
상류 원료
관련 반응
10건
화합물 노트
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