Basic information
- CAS
137-89-3- Standard SMILES
CCCCC(CC)COC(=O)c1cccc(C(=O)OCC(CC)CCCC)c1- InChIKey
WXZOXVVKILCOPG-UHFFFAOYSA-N- Molecular formula
- C24H38O4
- Average molar mass
- 390.6 g/mol
- Monoisotopic mass
- 390.27700969
Overview
Bis(2-ethylhexyl) isophthalate is a clear light yellow viscous liquid. (NTP, 1992)
Names & identifiers
- Preferred name
- Bis(2-ethylhexyl) isophthalate
- IUPAC
- bis(2-ethylhexyl) benzene-1,3-dicarboxylate
- English name
- BIS(2-ETHYLHEXYL)ISOPHTHALATE
- Molecular formula
- C24H38O4
- Molecular weight
- 390.56
Names & synonyms
Bis(2-ethylhexyl) isophthalate137-89-3Dioctyl isophthalateBIS(2-ETHYLHEXYL)ISOPHTHALATEDi-2-ethylhexyl isophthalateFlexol plasticizer 3801,3-Benzenedicarboxylic acid, bis(2-ethylhexyl) esterNSC 6358Isophthalic acid, bis(2-ethylhexyl) esterCCRIS 4589Isophthalic acid, bis(2-ethylhexyl)esterIsophthalic acid, di-(2-ethylhexyl)ester
Show more names
DOIPDIETHYLHEXYLISOPHTHALATEDI-(2-ETHYLHEXYL) ISOPHTHALATEBis(2-ethyl-1-hexyl) isophthalateIsophthalic acid, bis-octhyl esterBis(2-ethylhexyl) Isophthalate >
EINECS 205-308-0BRN 21628360WDI822P2UAI3-16906Bis-(2-ethylhexyl)ester kyseliny isoftaloveNSC-6358Bis-(2-ethylhexyl)ester kyseliny isoftalove [Czech]1,3-Benzenedicarboxylic acid, 1,3-bis(2-ethylhexyl) ester
Database identifiers
- CAS
137-89-3
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
PlasticizersPlasticizer
Solubilityless than 1 mg/mL at 61 °F (NTP, 1992)
Flash Pointgreater than 200 °F (NTP, 1992)
Physical DescriptionBis(2-ethylhexyl) isophthalate is a clear light yellow viscous liquid. (NTP, 1992)
Physicochemical properties
- Melting point
- -46 · -46
- Boiling point
- 211 °C/2mmHg · 211°C/2mmHg(lit.)
- Density
- 1.0101 · 1.0101 (rough estimate)
- refractive index
- 1.486 to · 1.4860 to 1.4900
- Flash point
- 233 °C · 233°C(lit.)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Liquid
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Danger
H360 (90.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsThis chemical is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this chemical emits acrid smoke and irritating fumes. (NTP, 1992)
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
BIS(2-ETHYLHEXYL) ISOPHTHALATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesRepr. 1B (90.5%)
Safety & protection
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,3-Benzenedicarboxylic acid, 1,3-bis(2-ethylhexyl) ester: ACTIVE
Applications
UsesRefer to the productμs Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.
General DescriptionClear light yellow viscous liquid.
Suppliers39 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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