Bis(2-ethylhexyl)fumarat

2-Ethylhexyl fumarate

HCID 5370325CAS 141-02-6
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Grundinformationen

Standard-SMILES
CCCCC(CC)COC(=O)/C=C/C(=O)OCC(CC)CCCC
InChIKey
ROPXFXOUUANXRR-BUHFOSPRSA-N
Summenformel
C20H36O4
Durchschnittliche Molmasse
340,5 g/mol
Monoisotopische Masse
340,26135963

Namen und Bezeichner

Bevorzugter Name
2-Ethylhexyl fumarate
IUPAC
bis(2-ethylhexyl) (E)-but-2-enedioate
Lokaler Name
Bis(2-ethylhexyl)fumarat
Englischer Name
DIOCTYL FUMARATE
Summenformel
C20H36O4
Molmasse
340.5

Namen und Synonyme

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
Weitere Namen anzeigen
FUMARIC 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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
6,5
Polarare Oberfläche (TPSA)
52,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
16
Schwere Atome
24

Experimentelle und physikochemische Eigenschaften

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]

Physikochemische Eigenschaften

Schmelzpunkt
58 °C · −58 °C(lit.)
Siedepunkt
185 °C · 185 °C / 5mmHg
Dichte
0.94 · 0.94
Dampfdruck
0 Pa · 0Pa at 20℃
Brechungsindex
20 · n20/D 1.458(lit.)
Flammpunkt
190 °C · 190 °C

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 · 1 Eintrag

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%)

Toxikologische Informationen

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

Sicherheitsdaten

tsca
TSCA listed
hs_code
29171900
RTECS-Nr.
LT0525000
risk_code
38
hazard_code
Xi
safety_code
24-26-36-24/25

Chemie und Industrie

Verwendung und Herstellung

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

Anbieter50 Anbieter

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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