헥사데카노락톤

Hexadecanolide

HCID 7984CAS 109-29-5
부분 구조 검색유사 구조 찾기

기본 정보

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 물성

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

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

화학적 성질

colourless to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 6건

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Commission Regulation (EC) No 1565/2000 (Repealed by Com.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
2932.99.9090
risk_code
38

화학 및 산업

용도 및 제조

U.S. Production2023: 75,044 lb
Consumer UsesFragrance
Industry UsesFragrance
Household Products · 2건

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 · 2건

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

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
成都翰唯生物科技有限公司17360178904 18217049878

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