에틸렌브라실레이트
Ethylene brassylate
기본 정보
- CAS
105-95-3- 표준 SMILES
O=C1CCCCCCCCCCCC(=O)OCCO1- InChIKey
XRHCAGNSDHCHFJ-UHFFFAOYSA-N- 분자식
- C15H26O4
- 평균 분자량
- 270.36 g/mol
- 단동위원소 질량
- 270.18310931
개요
Ethylene brassylate is a macrolide.
이름 및 식별자
- 우선 이름
- Ethylene brassylate
- IUPAC
- 1,4-dioxacycloheptadecane-5,17-dione
- 현지명
- 에틸렌브라실레이트
- 영어명
- Ethylene brassylate
- 분자식
- C15H26O4
- 분자량
- 270.37
이름 및 동의어
Ethylene brassylate1,4-DIOXACYCLOHEPTADECANE-5,17-DIONE105-95-3Ethylene undecane dicarboxylateTridecanedioic acid, cyclic ethylene esterFEMA No. 3543DTXSID10447749A87HC7ROD1,1'-Undecanedicarboxylic acid, ester with ethylene glycolNSC-46155DTXCID9024774RefChem:416897
이름 더 보기
에틸렌브래실레이트에틸렌브라실레이트Musk-TFEMA 3543ETHYLENE TRIDECANEDIOATEBRASSYLIC ACID ETHYLENE ESTERMc-5muskt
203-347-8AstratoneMusk TEmeressence 1150Ethyl brassylateEthylene Glycol BrassylateMFCD00046977AI3-24589
데이터베이스 식별자
- CAS
105-95-3- PubChem CID
- 61014
- DTXSID
DTXSID1044774- ChEMBL
CHEMBL2059298- ChEBI
CHEBI:168721- UNII
- 9A87HC7ROD
- EC Number
- 203-347-8
- Nikkaji
- J45.855D
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 237
실험 및 물리화학적 성질
CosmeticsTonic; Masking
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Ethylene brassylate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.040-1.045
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water; soluble in alcohol
1 mL in 1 mL alcohol (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
138.00 to 142.00 °C. @ 1.00 mm Hg
138-142 °C (1 mm Hg)
Melting Point0 - 7 °C
Refractive Index1.468-1.474
Physical Description
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 73.8% (1521 of 2061) of all reports.
H411 (23.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2061 reports by companies from 12 notifications to the ECHA C&L Inventory.
H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory Information
Chemical: 1,4-Dioxacycloheptadecane-5,17-dione
1,4-Dioxacycloheptadecane-5,17-dione is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxacycloheptadecane-5,17-dione 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: 1,4-dioxacycloheptadecane-5,17-dione (EC: 203-347-8)
1,4-Dioxacycloheptadecane-5,17-dione: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 1,4-Dioxacycloheptadecane-5,17-dione: Human health tier I assessment
Hazard Classes and Categories
Aquatic Chronic 2 (23.3%)
Hazardous to the aquatic environment (Acute) - Category 2
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- YQ1927500
- 독성
- Both the acute oral LD50 value in rats and the dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
화학 및 산업
약리 정보
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 234 consumer products that contain Ethylene brassylate in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Tonic; Masking
General Manufacturing Information
Other (requires additional information)
1,4-Dioxacycloheptadecane-5,17-dione: ACTIVE
응용 분야
출처Has apparently not been reported to occur in nature.
일반 설명Ethylene brassylate is macrocylic compound mainly used as a fragrance ingredient for its musk-like odor.
제조 방법
By esterification of brassylic acid.
상·하류 제품 정보
상류 원료
관련 반응
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