Basic information
- CAS
10099-70-4- Standard SMILES
CC(C)OC(=O)C=CC(=O)OC(C)C- InChIKey
FNMTVMWFISHPEV-UHFFFAOYSA-N- Molecular formula
- C10H16O4
- Average molar mass
- 200.23 g/mol
- Monoisotopic mass
- 200.10485899
Overview
2-Butenedioic acid (2Z)-, bis(1-methylethyl) ester has been reported in Phaseolus vulgaris with data available.
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2Z)-, bis(1-methylethyl) ester
- IUPAC
- dipropan-2-yl but-2-enedioate
- English name
- diisopropyl maleate
- Molecular formula
- C10H16O4
- Molecular weight
- 200.23
Names & synonyms
dipropan-2-yl but-2-enedioate10099-70-42-Butenedioic acid (2Z)-, bis(1-methylethyl) esterDTXSID7064942RefChem:197703DTXCID5032571diisopropyl but-2-enedioateNCIOpen2_000537SCHEMBL177748orb1705635Di(propan-2-yl) but-2-enedioateDB-055684
Show more names
iisopropylmaleatediisopropyl maleateMaleic acid diisopropylBrivaracetam Impurity 42Maleic acid diisopropyl ester(Z)-2-Butenedioic acid diisopropyl ester(Z)-2-Butenedioic acid di(1-methylethyl) ester2-Butenedioic acid (2Z)-, 1,4-bis(1-methylethyl) ester
Database identifiers
- CAS
10099-70-4- PubChem CID
- 23711
- DTXSID
DTXSID7064942
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Melting point
- -30.15 °C · -30.15°C
- Boiling point
- 257.96 °C · 257.96°C (rough estimate)
- Density
- 0.9941 · 0.9941 (rough estimate)
- vapor pressure
- 6.2 Pa · 6.2Pa at 25℃
- refractive index
- 1.45 · 1.4500 (estimate)
- Viscosity
- 4.56 mm2/s · 4.56mm2/s
- Water Solubility
- 9.9 g/L · 9.9g/L at 20℃
- InChI
- InChI=1S/C10H16O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h5-8H,1-4H3/b6-5-
- InChIKey
- FNMTVMWFISHPEV-WAYWQWQTSA-N
- SMILES
- C(OC(C)C)(=O)/C=C\C(OC(C)C)=O
- LogP
- 1.95 · 1.95
- Indirect Additives used in Food Contact Substances
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
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: Diisopropyl maleate (EC: 233-242-2)
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenedioic acid (2Z)-, 1,4-bis(1-methylethyl) ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers34 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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