Cas no 26643-91-4 (4-methyl-2-phenyl-2-pentenal)

4-methyl-2-phenyl-2-pentenal structure
4-methyl-2-phenyl-2-pentenal structure
Product Name:4-methyl-2-phenyl-2-pentenal
CAS No:26643-91-4
MF:C12H14O
MW:174.238963603973
CID:88680
PubChem ID:6435914
Update Time:2025-04-18

4-methyl-2-phenyl-2-pentenal Chemical and Physical Properties

Names and Identifiers

    • 4-methyl-2-phenyl-2-pentenal
    • 2-Pentenal,4-methyl-2-phenyl
    • 2-Phenyl-4-methyl-2-pentenal
    • 2-PHENYL-4-METHYLPENT-2-ENAL
    • 4-methyl-2-phenyl-2 pentenal
    • 4-METHYL-2-PHENYLPENT-2-ENAL
    • FEMA 3200
    • alpha-(2-Methylpropylidene)benzeneacetaldehyde
    • MDL: M169152
    • Inchi: 1S/C12H14O/c1-10(2)8-12(9-13)11-6-4-3-5-7-11/h3-10H,1-2H3/b12-8-
    • InChI Key: ULRYRAHIBWLZKC-WQLSENKSSA-N
    • SMILES: O=C/C(/C1C=CC=CC=1)=C/C(C)C
    • BRN: 2042583

Computed Properties

  • Exact Mass: 174.10400
  • Monoisotopic Mass: 174.104
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 185
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • XLogP3: 2.9
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.962
  • Boiling Point: 295 oC
  • Flash Point: 114 oC
  • Refractive Index: n20/D 1.536(lit.)
  • PSA: 17.07000
  • LogP: 2.92490
  • Solubility: Not determined
  • Sensitiveness: Air Sensitive
  • FEMA: 3200 | 4-METHYL-2-PHENYL-2-PENTENAL

4-methyl-2-phenyl-2-pentenal Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • Safety Term:S26;S36
  • Risk Phrases:R36/38
  • TSCA:Yes

4-methyl-2-phenyl-2-pentenal Customs Data

  • HS CODE:2912299000
  • Customs Data:

    China Customs Code:

    2912299000

    Overview:

    2912299000. Other cyclic aldehydes 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, Appearance of tetraformaldehyde

    Summary:

    2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

4-methyl-2-phenyl-2-pentenal Pricemore >>

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