Cas no 5296-78-6 (Ethyl 2-isocyanato-3-methylbutyrate)

Ethyl 2-isocyanato-3-methylbutyrate structure
5296-78-6 structure
Product Name:Ethyl 2-isocyanato-3-methylbutyrate
CAS No:5296-78-6
MF:C8H13NO3
MW:171.193722486496
CID:85270
PubChem ID:2759395
Update Time:2025-04-18

Ethyl 2-isocyanato-3-methylbutyrate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-isocyanato-3-methylbutyrate
    • 2-Isocyanato-3-methylbutyric acid ethyl ester
    • Ethyl N-(oxomethylene)valinate
    • ETHYL 2-ISOCYANATO-3-METHYLBUTYRATE,97
    • DTXSID60967428
    • A922218
    • AKOS005171731
    • ethyl 2-isocyanato-3-methybutyrate
    • ETHYL 2-ISOCYANATO-3-METHYLBUTYRATE, 97
    • Ethyl 2-isocyanato-3-methylbutanoate, AldrichCPR
    • FT-0761966
    • ETHYL2-ISOCYANATO-3-METHYLBUTYRATE
    • ethyl N-(oxomethylidene)valinate
    • SCHEMBL1279107
    • 13794-39-3
    • FT-0625956
    • 2-Isocyanato-3-methyl-butyric acid ethyl ester
    • 5296-78-6
    • LXPOIQVGVGYFJA-UHFFFAOYSA-N
    • ethyl 2-isocyanato-3-methylbutanoate
    • MFCD00078478
    • BB 0260956
    • DA-10978
    • STK504623
    • Inchi： 1S/C8H13NO3/c1-4-12-8(11)7(6(2)3)9-5-10/h6-7H,4H2,1-3H3
    • InChI Key： LXPOIQVGVGYFJA-UHFFFAOYSA-N
    • SMILES： O(CC)C(C(C(C)C)N=C=O)=O
    • BRN： 1239965

Computed Properties

  • Exact Mass: 171.09000
  • Monoisotopic Mass: 171.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 195
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 2.8
  • Topological Polar Surface Area: 55.7?2

Experimental Properties

  • Color/Form: Not determined
  • Density: 81
  • Boiling Point: 81-82°C 3mm
  • Flash Point: 81-82°C/3mm
  • Refractive Index: 1.4275
  • PSA: 55.73000
  • LogP: 0.90990
  • Sensitiveness: Moisture Sensitive
  • Solubility: Not determined

Ethyl 2-isocyanato-3-methylbutyrate Security Information

  • Hazardous Material transportation number：UN 2206
  • Hazard Category Code： 20/22-36/37/38-42
  • Safety Instruction： S23-S26-S36/37/39-S45
  • HazardClass：6.1
  • PackingGroup：III
  • Safety Term：6.1
  • Packing Group：III
  • Risk Phrases：R20/22; R36/37/38; R42
  • Packing Group：III
  • Hazard Level：6.1

Ethyl 2-isocyanato-3-methylbutyrate Customs Data

  • HS CODE：2929109000
  • Customs Data：

    China Customs Code:

    2929109000

    Overview:

    2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Ethyl 2-isocyanato-3-methylbutyrate Related Literature

5296-78-6 (Ethyl 2-isocyanato-3-methylbutyrate) Related Products

Recommended suppliers
Jinan Hanyu Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinan Hanyu Chemical Co.,Ltd.
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shaanxi pure crystal photoelectric technology co. LTD
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.