DI-N-헥실푸마르산염

Dihexyl fumarate

HCID 5271574CAS 19139-31-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCOC(=O)/C=C/C(=O)OCCCCCC
InChIKey
QMCVOSQFZZCSLN-VAWYXSNFSA-N
분자식
C16H28O4
평균 분자량
284.39 g/mol
단동위원소 질량
284.19875938

이름 및 식별자

우선 이름
Dihexyl fumarate
IUPAC
dihexyl (E)-but-2-enedioate
현지명
DI-N-헥실푸마르산염
영어명
DI-N-HEXYL FUMARATE
분자식
C16H28O4
분자량
284.39

이름 및 동의어

Dihexyl fumarate19139-31-2Dihexyl trans-butenedioateFUMARIC ACID, DIHEXYL ESTER2-Butenedioic acid (2E)-, 1,4-dihexyl ester2-Butenedioic acid (E)-, dihexyl ester2-Butenedioic acid (2E)-, dihexyl ester6B3O343SS2EINECS 242-833-4BRN 17128823-02-00-01905 (Beilstein Handbook Reference)RefChem:587639
이름 더 보기
DI-N-헥실푸마르산염Hexyl fumaratehexylfumarateDihexylfumaratTIMTEC-BB SBB007699dihexyl (E)-fumaratefumaricacid,dihexylesterdihexyltrans-butenedioate
242-833-4di-n-Hexyl fumaratedihexyl (E)-but-2-enedioateMFCD00043676UNII-6B3O343SS2(2E)-But-2-enedioic Acid di-n-Hexyl Ester; Fumaric acid di-n-hexyl ester; trans-But-2-enoic acid di-n-hexyl ester2-Butenedioic acid(2E)-, 1,4-dihexyl esterSCHEMBL42963

데이터베이스 식별자

CAS
19139-31-2
PubChem CID
5271574
DTXSID
DTXSID00893393
ChEMBL
CHEMBL3247954
UNII
6B3O343SS2
EC Number
105-225-9、242-833-4
Nikkaji
J34.714K、J520.515H

물성

구조 계산 물성

XLogP
4.9
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
14
무거운 원자 수
20

실험 및 물리화학적 성질

FragrancesFragrance Ingredient (Dihexyl fumarate) -> IFRA transparency List
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid

물리화학적 성질

끓는 점
346.88 °C · 346.88°C (rough estimate)
밀도
1.0052 · 1.0052 (rough estimate)
증기압
0.03 Pa · 0.03Pa at 25℃
굴절률
1.435 · 1.4350 (estimate)
저장 조건
Amber Vial, Refrigerator, Under inert atmosphere
용해도
클로로포름(약간 용해됨)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 99.9% (1521 of 1523) of all reports.

Not Classified

Aggregated GHS information provided per 1523 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 4건

Chemical: 2-Butenedioic acid, (E)-, dihexyl ester

2-Butenedioic acid (2E)-, 1,4-dihexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Butenedioic acid (2E)-, 1,4-dihexyl ester 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: Dihexyl fumarate (EC: 242-833-4)

2-Butenedioic acid (2E)-, dihexyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesNot Classified

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-03936

화학 및 산업

용도 및 제조

U.S. Production2023: 20,815 lb
Consumer UsesFragrance
Industry UsesFragrance
Household ProductsInformation on 4 consumer products that contain Dihexyl Fumarate in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information · 2건

All Other Chemical Product and Preparation Manufacturing

2-Butenedioic acid (2E)-, 1,4-dihexyl ester: ACTIVE

공급사22 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海纳谦化学科技有限公司13598610367 13598610367 · [email protected]

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