비스(2-에틸헥실) 퓨마레이트

2-Ethylhexyl fumarate

HCID 5370325CAS 141-02-6
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC
InChIKey
ROPXFXOUUANXRR-BUHFOSPRSA-N
분자식
C20H36O4
평균 분자량
340.5 g/mol
단동위원소 질량
340.26135963

이름 및 식별자

우선 이름
2-Ethylhexyl fumarate
IUPAC
bis(2-ethylhexyl) (E)-but-2-enedioate
현지명
비스(2-에틸헥실) 퓨마레이트
영어명
DIOCTYL FUMARATE
분자식
C20H36O4
분자량
340.5

이름 및 동의어

Bis(2-ethylhexyl) fumarate141-02-6Di(2-ethylhexyl) fumarate2-Ethylhexyl fumarateRC Comonomer DOFDIETHYLHEXYL FUMARATEEINECS 205-448-22-Butenedioic acid, bis(2-ethylhexyl) ester2-BUTENEDIOIC ACID (E)-, BIS(2-ETHYLHEXYL) ESTERBRN 17291342-Butenedioic acid (2E)-, bis(2-ethylhexyl) esterAI3-17415
이름 더 보기
비스(2-에틸헥실) 퓨마레이트FUMARIC ACID BIS(2-ETHYLHEXYL) ESTERDi-n-octyl fumarateFUMARIC ACID DIOCTYL ESTERBis(2-ethylhexyl)Fumarate>FUMARIC ACID DI(2-ETHYLHEXYL) ESTERBis(2-ethylhexyl) Fumarate, ≥ 98.0%
19Q90W09ESFUMARIC ACID, BIS(2-ETHYLHEXYL) ESTERBERNEL ESTER 284Bis-(2-ethylhexyl)ester kyseliny fumarove [Czech]2-Butenedioic acid, (E)-, bis(2-ethylhexyl) esterBis-(2-ethylhexyl)ester kyseliny fumaroveDTXSID2051710EC 205-448-2

데이터베이스 식별자

CAS
141-02-6
PubChem CID
5370325
DTXSID
DTXSID2051710
UNII
19Q90W09ES
EC Number
205-448-2
Nikkaji
J3.497.979K、J53.983J

물성

구조 계산 물성

XLogP
6.5
극성 표면적
52.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
16
무거운 원자 수
24

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Esters, Other
CosmeticsCosmetic ingredients (Diethylhexyl Fumarate) -> CIR (Cosmetic Ingredient Review)
Vapor Pressure0.000059 [mmHg]
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid; [EPA ChAMP: Screening Level Hazard Characterization]

물리화학적 성질

녹는점
58 °C · −58 °C(lit.)
끓는 점
185 °C · 185 °C / 5mmHg
밀도
0.94 · 0.94
증기압
0 Pa · 0Pa at 20℃
굴절률
20 · n20/D 1.458(lit.)
인화점
190 °C · 190 °C

화학적 성질

Its density and boiling point are 0.942 and 211–220°C, respectively. No other chemical or physical data were found.

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 45.7% (306 of 670) of reports.

Warning

H315 (26.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 670 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: 2-Butenedioic acid, (E)-, bis(2-ethylhexyl) ester

REACH registered substance: Bis(2-ethylhexyl) fumarate (EC: 205-448-2)

2-Butenedioic acid (2E)-, bis(2-ethylhexyl) ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazards Summary · 1건

An optical isomer demonstrates no eye but skin irritation in rabbits; Two structurally similar compounds cause skin sensitization in guinea pigs; Expected to have a low order of reproductive and developmental toxicity from oral exposure, based on a structurally similar compound; [EPA ChAMP: Screening Level Hazard Characterization] A skin irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Irrit. 2 (26.7%)

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org

안전 데이터

tsca
TSCA listed
rtecs
LT0525000
HS 번호
29171900
risk_code
38
hazard_code
Xi
safety_code
24-26-36-24/25

화학 및 산업

용도 및 제조

UsesCIR ingredient: Diethylhexyl Fumarate
General Manufacturing Information2-Butenedioic acid (2E)-, 1,4-bis(2-ethylhexyl) ester: ACTIVE

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]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

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