Cas no 4335-90-4 (3-Benzylidene-2,4-pentanedione)

3-Benzylidene-2,4-pentanedione structure
4335-90-4 structure
Product Name:3-Benzylidene-2,4-pentanedione
CAS No:4335-90-4
MF:C12H12O2
MW:188.222483634949
CID:84997
PubChem ID:24878761
Update Time:2025-04-18

3-Benzylidene-2,4-pentanedione Chemical and Physical Properties

Names and Identifiers

    • 3-Benzylidene-2,4-pentanedione
    • 3-Acetyl-4-phenyl-3-buten-2-one~(2-Benzylidene)acetylacetone
    • 3-benzylidenepentane-2,4-dione
    • 1,1-bisacetyl-2-phenylethylene
    • 1,1-Diacetyl-2-phenylethylene
    • 2,4-Pentanedione,3-(phenylmethylene)
    • 2-Acetyl-1-phenyl but-1-en-3-one
    • 3-(Phenylmethylene)pentane-2,4-dione
    • 3-Benzylideneacetylacetone
    • 3-benzylidene-pentane-2,4-dione
    • 3-benzylidiene-2,4-pentanedione
    • Benzalacetylacetone
    • Benzylidene acetylacetone
    • u1r
    • 3-Benzylidene acetylacetone
    • CS-0133571
    • 4335-90-4
    • AI3-07406
    • 3-(phenylmethylidene)pentane-2,4-dione
    • 2,4-Pentanedione, 3-(phenylmethylene)-
    • NS00031335
    • FT-0615097
    • 3-Acetyl-4-phenyl-3-buten-2-one
    • NSC35140
    • starbld0000268
    • (2,2-Diacetylvinyl)benzene
    • AKOS005206858
    • 2, 3-benzylidene-
    • EINECS 224-382-5
    • MFCD00014990
    • 2,4-Pentanedione, 3-benzylidene-
    • D97761
    • BRN 0972849
    • 3-Benzylidene-2,4-pentanedione, 97%
    • SCHEMBL979463
    • NSC-35140
    • 2, 3-(phenylmethylene)-
    • DTXSID3063419
    • 4-07-00-02355 (Beilstein Handbook Reference)
    • NSC 35140
    • benzal acetylacetone
    • 224-382-5
    • DTXCID5040259
    • MDL： MFCD00014990
    • Inchi： 1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
    • InChI Key： NYRGMNMVISROGJ-UHFFFAOYSA-N
    • SMILES： O=C(C)/C(/C(C)=O)=C/C1C=CC=CC=1
    • BRN： 972849

Computed Properties

  • Exact Mass: 188.08400
  • Monoisotopic Mass: 188.08373
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 34.1

Experimental Properties

  • Color/Form: Colorless or light yellow liquid
  • Density: 1.081?g/mL?at 25?°C(lit.)
  • Boiling Point: 185-188?°C/15?mmHg(lit.)
  • Flash Point: Degrees Fahrenheit:>230°F
    Degrees Celsius:>110°C
  • Refractive Index: n20/D 1.583(lit.)
  • PSA: 34.14000
  • LogP: 2.24800
  • Solubility: Insoluble in water, can be mixed with ethanol and acetone
  • Vapor Pressure: 0.0±0.8 mmHg at 25°C

3-Benzylidene-2,4-pentanedione Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S36
  • RTECS：SA1930000
  • Hazardous Material Identification： Xi
  • TSCA：Yes
  • Safety Term：S24/25
  • Risk Phrases：R36/37/38
  • Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)

3-Benzylidene-2,4-pentanedione Customs Data

  • HS CODE：2914399090
  • Customs Data：

    China Customs Code:

    2914399090

    Overview:

    2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

3-Benzylidene-2,4-pentanedione Pricemore >>

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