Cas no 612-40-8 (2-carboxycinnamic acid)

2-carboxycinnamic acid structure
2-carboxycinnamic acid structure
Product Name:2-carboxycinnamic acid
CAS No:612-40-8
MF:C10H8O4
MW:192.168123245239
CID:82707
PubChem ID:904938
Update Time:2025-04-18

2-carboxycinnamic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-carboxyvinyl)benzoic acid
    • 2-Carboxy cinnamic acid
    • 2-Carboxyciamic acid
    • 2-Carboxy-zimtsaeure
    • carboxycinnamic acid
    • O-CARBOXYCINNAMIC ACID
    • RARECHEM BK HW 0112
    • NSC 16636
    • 2-(2-Carboxyethenyl)-benzoic acid
    • 2-[(E)-2-Carboxyethenyl]benzoic acid #
    • VS-08540
    • trans-2-Carboxycinnamic acid
    • NS00041640
    • AKOS004114662
    • NSC16636
    • EINECS 210-308-9
    • 2-[(E)-2-carboxylatovinyl]benzoate
    • A833117
    • 2-[(E)-2-Carboxyethenyl]benzoic acid
    • 2-[(1E)-2-carboxyeth-1-en-1-yl]benzoic acid
    • 18454-53-0
    • (E)-2-(2-carboxyvinyl)benzoic acid
    • NSC-16636
    • AE-641/01932048
    • Benzoic acid, 2-[(1E)-2-carboxyethenyl]-
    • CS-0454162
    • 2-[(E)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid
    • 2-(2-carboxyvinyl)benzoicacid
    • 612-40-8
    • GEO-00639
    • 2-Carboxycinnamic acid, predominantly trans
    • SCWPNMHQRGNQHH-AATRIKPKSA-N
    • 2-Carboxycinnamic acid
    • SCHEMBL28498
    • MFCD00004380
    • DB-364461
    • STK720133
    • BBL027457
    • 2-carboxycinnamic acid
    • Inchi: 1S/C10H8O4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)(H,13,14)/b6-5+
    • InChI Key: SCWPNMHQRGNQHH-AATRIKPKSA-N
    • SMILES: OC(C1C=CC=CC=1/C=C/C(=O)O)=O
    • BRN: 1870294

Computed Properties

  • Exact Mass: 192.04200
  • Monoisotopic Mass: 192.042
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 246
  • 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: -2
  • XLogP3: 2.7
  • Topological Polar Surface Area: 80.3

Experimental Properties

  • Color/Form: White crystalline powder
  • Density: 1.396±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 217 oC (acetone ligroine )
  • Boiling Point: 248.14°C (rough estimate)
  • Flash Point: 219.9°C
  • Refractive Index: 1.4440 (estimate)
  • Solubility: Slightly soluble (4.2 g/l) (25 o C),
  • PSA: 74.60000
  • LogP: 1.48260

2-carboxycinnamic acid Security Information

  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

2-carboxycinnamic acid Customs Data

  • HS CODE:2917399090
  • Customs Data:

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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2-carboxycinnamic acid Production Method

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