3-Benzylidene-2,4-pentanedione

Catalog Number

ACM4335904

Product Name

3-Benzylidene-2,4-pentanedione

Structure

CAS

4335-90-4

Category

Heterocyclic Organic Compound

Synonyms

Benzalacetylacetone, Benzylidene acetylacetone, 3-Benzylidene-2,4-pentanedione, 3-Benzylideneacetylacetone, 3-Benzylidene acetylacetone, (2,2-Diacetylvinyl)benzene, 1,1-Diacetyl-2-phenylethylene, 2,4-Pentanedione, 3-benzylidene-, 2,4-Pentanedione, 3-(phenylmethylene)-, 2-Acetyl-1-phenyl but-1-en-3-one, 544418_ALDRICH, EINECS 224-382-5, NSC 35140, 3-(Phenylmethylene)pentane-2,4-dione, CID95782, NSC35140, BRN 0972849, ZINC01667495, AI3-07406, LS-101678

IUPAC Name

3-benzylidenepentane-2,4-dione

Molecular Weight

188.22

Molecular Formula

C₁₂H₁₂O₂

Canonical SMILES

CC(=O)C(=CC1=CC=CC=C1)C(=O)C

InChI Key

NYRGMNMVISROGJ-UHFFFAOYSA-N

Boiling Point

185ºC(15 torr)

Flash Point

>230 °F

Density

1.081 g/mL at 25 °C(lit.)

EC Number

224-382-5

Exact Mass

188.08400

Hazard Statements

Xi

H-Bond Acceptor

2

H-Bond Donor

0

Safety Description

S24/25

WGK Germany

3

MSDS

COA

Spec Sheet