Ethylene brassylate (HCID 61014)

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 Å²
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

Density1.040-1.045

Solubility · 2건

insoluble in water; soluble in alcohol

1 mL in 1 mL alcohol (in ethanol)

Boiling Point · 2건

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 · 3건

Liquid; Dry Powder; Liquid; CBI

Liquid

colourless to pale yellow liquid with musk-like odour

물리화학적 성질

녹는점: -8 °C · -8 °C
끓는 점: 138 · 138-142 °C1 mm Hg(lit.)
밀도: 1.042 g/mL · 1.042 g/mL at 25 °C(lit.)
증기압: 0.017 Pa · 0.017Pa at 20℃
굴절률: 20 · n20/D 1.47(lit.)
FEMA: 3543 · 3543 | ETHYLENE BRASSYLATE
인화점: 200 °F · 200 °F
저장 조건: 2 · Storage temp. 2-8°C
물리적 상태: 투명한 액체
색상: 무색~연황색
냄새: 100 %에서 · 100.00%에서. 파우더리 스위트 플로럴 암브레트 머스크 우디
냄새 유형: 사향
생물학적 소스: synthetic
수용성: 14.8 mg/L · 14.8mg/L at 20℃
JECFA Number: 626 · 626
Henry's Law Constant: 5.3 · 5.3×101 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
주요 응용: 향료 및 향
화장품 원료 기능: 향기토닉
InChI: 1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
InChIKey: XRHCAGNSDHCHFJ-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCCCCC(=O)OCCO1
LogP: 4.3 at · 4.3 at 25℃
NIST: Ethylene brassylate(105-95-3)
EPA: 1 · 1,4-Dioxacycloheptadecane-5,17-dione (105-95-3)

화학적 성질 · 1건

Ethylene brassylate is an artificial fragrance material, with a sweetish, slightly fatty, musk odor. Similarly to the aforementioned 1,12-dodecanedioic ester compound, the ester is obtained by depolymerization of the corresponding polyester. Traditionally, brassylic acid (1,13-tridecanedioic acid) is prepared by ozonolysis of erucic acid

안전 및 규제

GHS 분류

GHS Classification · 6건

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.；Reported as not meeting GHS hazard criteria per 1521 of 2061 reports by companies.；There are 10 notifications provided by 540 of 2061 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 4건

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)

Status: Active Update: 29-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14715

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；Evaluation - Ethylene brassylate and zenolide

Hazard Classes and Categories · 2건

Aquatic Chronic 2 (23.3%)

Hazardous to the aquatic environment (Acute) - Category 2；Hazardous to the aquatic environment (Long-term) - Category 2

규제 정보

Regulatory Information · 4건

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)

Status: Active Update: 29-05-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/14715

1,4-Dioxacycloheptadecane-5,17-dione: Does not have an individual approval but may be used under an appropriate group standard

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).
HS 번호: 29171900
risk_code: 38
hazard_code: Xi
safety_code: 26-36
기존화학 물질: KE-12000
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

약리 정보

Cellular LocationsMembrane

용도 및 제조

U.S. Production2023: 10,000,000 - <25,000,000 lb；2022: 10,000,000 - <25,000,000 lb；2021: 10,000,000 - <25,000,000 lb；2020: 10,000,000 - <25,000,000 lb

Consumer UsesFragrance；Other

Industry UsesOther；Fragrance

Household ProductsInformation on 234 consumer products that contain Ethylene brassylate in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home；• Personal Care

Use Classification · 5건

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 · 2건

Other (requires additional information)；All Other Basic Organic Chemical Manufacturing；All Other Chemical Product and Preparation Manufacturing；Soap, Cleaning Compound, and Toilet Preparation Manufacturing

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

공급사50 곳

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

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