CAS 925-16-6 Butanedioic acid, 1,4-di-2-propen-1-yl ester (HCID 70215)

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Basic information

CAS: 925-16-6
Standard SMILES: C=CCOC(=O)CCC(=O)OCC=C
InChIKey: HABAXTXIECRCKH-UHFFFAOYSA-N
Molecular formula: C10H14O4
Average molar mass: 198.22 g/mol
Monoisotopic mass: 198.08920892

Names & identifiers

Preferred name: Butanedioic acid, 1,4-di-2-propen-1-yl ester
IUPAC: bis(prop-2-enyl) butanedioate
English name: DIALLYL SUCCINATE
Molecular formula: C10H14O4
Molecular weight: 198.22

Names & synonyms

Diallyl succinate925-16-6Butanedioic acid, di-2-propenyl esterSuccinic acid, diallyl esterAMT9NLX4PWJF 2777JF 3958Butanoic acid, di-2-propenyl esterEINECS 213-115-8Butanedioic acid, 1,4-di-2-propen-1-yl esterNSC 20965NSC-20965

Show more names

diprop-2-enyl butanedioateButanedioic acid diallyl esterbutanedioicacid,di-2-propenylester

AI3-05546DTXSID1061287RefChem:570795DTXCID2048799213-115-8InChI=1/C10H14O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-4H,1-2,5-8Hbis(prop-2-enyl) butanedioateDiallylsuccinate

Database identifiers

CAS: 925-16-6
PubChem CID: 70215
DTXSID: DTXSID1061287
UNII: AMT9NLX4PW
EC Number: 213-115-8
Nikkaji: J147.943A

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 9
Heavy atoms: 14
Formal charge: 0
Complexity: 196

Experimental & physicochemical properties

Kovats Retention Index1310

Physicochemical properties

Boiling point: 105 °C3 · 105 °C3 mm Hg(lit.)
Density: 1.051 g/mL · 1.051 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.454(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Oil
color: Colourless
LogP: 1.887 · 1.887 (est)
FDA UNII: 9 NLX4PW · AMT9NLX4PW
EPA Substance Registry System: -2 · Butanedioic acid, di-2-propenyl ester (925-16-6)
WGK Germany: 3 · 3
TSCA: TSCA listed

Safety & regulation

Safety data

wgk: 3
tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationButanedioic acid, 1,4-di-2-propen-1-yl ester: INACTIVE

Applications

UsesDiallyl Succinate is used in the synthesis of crosslinked polymers as well as for magnetic polyethylenamine complexes for use in enhancing gene transfection.