Cas no 6066-49-5 (Butylphthalide)

Butylphthalide structure
Butylphthalide structure
Product Name:Butylphthalide
CAS No:6066-49-5
MF:C12H14O2
MW:190.238363742828
MDL:MFCD01704513
CID:46379
Update Time:2025-09-19

Butylphthalide Chemical and Physical Properties

Names and Identifiers

    • Butylphthalide
    • 3-Butyl-1(3H)-isobenzofuranone
    • 3-n-Butylphathlide
    • 3-Butylisobenzofuran-1(3H)-one
    • 3-Butylphthalide
    • 3-n-Butylphthalide
    • 3-butyl-phthalid
    • 3-butyl-1(3h)-isobenzofuranon
    • N-butylphthalide
    • 1(3H)-Isobenzofuranone, 3-butyl-
    • Phthalide, 3-butyl-
    • FEMA No. 3334
    • 3-butyl-3H-isobenzofuran-1-one
    • 3-butyl-3H-2-benzofuran-1-one
    • HJXMNVQARNZTEE-UHFFFAOYSA-N
    • C12H14O2
    • (S)-3-Butyl-1(3H)-isobenzofuranone
    • AK114739
    • Butylphthalide [INN]
    • 3-butyl phthalide
    • 1(3H)-Isobenzofuranone, 3-butyl-, (R)-
    • (+/-)-butylpht
    • MDL: MFCD01704513
    • Inchi: 1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
    • InChI Key: HJXMNVQARNZTEE-UHFFFAOYSA-N
    • SMILES: CCCCC1C2C(=CC=CC=2)C(=O)O1

Computed Properties

  • Exact Mass: 190.09900
  • Monoisotopic Mass: 190.099379685 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 212
  • 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
  • XLogP3: 2.8
  • Topological Polar Surface Area: 26.3
  • Molecular Weight: 190.24

Experimental Properties

  • Color/Form: Oil
  • Density: 1.0527 (rough estimate)
  • Boiling Point: 312.7℃ at 760 mmHg
  • Flash Point: 493.5°C
  • Refractive Index: 1.5197 (estimate)
  • Solubility: 199.1 mg/L @ 25 °C (est)
  • PSA: 26.30000
  • LogP: 3.08830
  • Refractive Index: 1.524-1.529
  • FEMA: 3334 | 3-N-BUTYLPHTHALIDE

Butylphthalide Security Information

  • Storage Condition:Pure form -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month

Butylphthalide Customs Data

  • HS CODE:2932209090
  • Customs Data:

    China Customs Code:

    2932209090

    Overview:

    2932209090. Other lactones. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Butylphthalide Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:6066-49-5)3-n-Butylphathlide
Order Number:LE13576
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:09
Price ($):discuss personally

Butylphthalide Related Literature

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:6066-49-5)3-n-Butylphathlide
LE13576
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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