ChemicalBook--->CAS DataBase List--->99-67-2

99-67-2

99-67-2 Structure

99-67-2 Structure
IdentificationBack Directory
[Name]

2-ALLYL-4-PENTENOIC ACID
[CAS]

99-67-2
[Synonyms]

Diallyl aetic acid
Divalproex sodium-1
2-allyl-4-pentenoicaci
4-PENTENOICACID,2-ALLYL-
2-ALLYL-4-PENTENOIC ACID
Di-2-propenylacetic acid
2-allylpent-4-enoic acid
prop-2-enyl pent-4-enoate
Valproic Acid Impurity 13
2-PROPENE-PENT-4-ENOICACID
prop-2-en-1-yl pent-4-enoate
2-(2-propenyl)-4-pentenoicaci
alpha,alpha-diallylaceticacid
pent-4-enoic acid allyl ester
2-(2-Propenyl)-4-pentenoic acid
1,6-Heptadiene-4-carboxylic acid
Valproic Acid Related CoMpound A
4-Pentenoic acid, 2-(2-propen-1-yl)-
Valproic Acid USP Related Compound A
Diallyl Acetic Acid (Valproic Acid RCA)
Valproic Acid Related Compound A (0.25 mL) (diallyl acetic acid)
Valproic Acid Related Compound A (0.25 mL) (diallyl acetic acid) (1708729)
[Molecular Formula]

C8H12O2
[MDL Number]

MFCD01709129
[MOL File]

99-67-2.mol
[Molecular Weight]

140.18
Chemical PropertiesBack Directory
[Melting point ]

48℃
[Boiling point ]

75-84 °C(Press: 2 Torr)
[density ]

0.961
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

neat
[pka]

4.49±0.11(Predicted)
[Appearance]

Colorless to light yellow Liquid
[Major Application]

pharmaceutical (small molecule)
[InChI]

1S/C8H12O2/c1-3-5-6-8(9)10-7-4-2/h3-4H,1-2,5-7H2
[InChIKey]

KIMFDBOZBIWTFM-UHFFFAOYSA-N
[SMILES]

O(CC=C)C(=O)CCC=C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[Hazard Codes ]

Xn
[Risk Statements ]

22
[WGK Germany ]

3
[HS Code ]

2916196000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

Diallylacetic Acid (Valproic Acid USP Related Compound A), is a metabolite of Valproic Acid (V094750) as anticonvulsant agents. It can also be used for the synthesis of Velbanamine.
[General Description]

Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
Spectrum DetailBack Directory
[Spectrum Detail]

2-ALLYL-4-PENTENOIC ACID(99-67-2)1HNMR
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