Cas no 1573-17-7 (1,4-Diacetyl-2-butyne-1,4-diol)

1,4-Diacetyl-2-butyne-1,4-diol is a versatile acetylene-based intermediate with applications in organic synthesis and specialty chemicals. Its diacetyl and diol functional groups enable selective reactivity, making it useful for cross-coupling reactions, polymer modifications, and as a precursor for fine chemicals. The compound offers high purity and stability, supporting precise synthetic pathways.
1,4-Diacetyl-2-butyne-1,4-diol structure
1573-17-7 structure
Product Name:1,4-Diacetyl-2-butyne-1,4-diol
CAS No:1573-17-7
MF:C8H10O4
MW:170.162602901459
MDL:MFCD07369301
CID:83798
PubChem ID:87564958
Update Time:2025-06-17

1,4-Diacetyl-2-butyne-1,4-diol Chemical and Physical Properties

Names and Identifiers

    • But-2-yne-1,4-diyl diacetate
    • 1,6-Diacetoxyhexane
    • 2-Butyne-1,4-diol diacetate
    • 1,4-Diacetoxy-2-butyne
    • 1,4-Diacetyl-2-butyne-1,4-diol
    • 4-acetyloxybut-2-ynyl acetate
    • Bis(acetoxymethyl)acetylene
    • 2-Butyne-1,4-diol 1,4-diacetate
    • NSC 76565
    • Butynediol diacetate
    • 2-Butyne-1,4-diol, diacetate
    • 2-Butyne-1,4-diol, 1,4-diacetate
    • 2-Butyne-1, diacetate
    • 1,4-diacetoxy-but-2-yne
    • 2-Butynediol-1,4-diacetate
    • ghl.PD_Mitscher_leg0.686
    • TVIMIQVBDDNCCR-UHFFFAOYSA-N
    • NSC76565
    • SBB
    • B2087
    • But-2-yne-1,4-diyldiacetate
    • 1573-17-7
    • AS-60941
    • AI3-26931
    • 4-(Acetyloxy)-2-butynyl acetate #
    • DTXSID40883697
    • NS00048599
    • MFCD00014982
    • Z2RUC6Y44A
    • D88893
    • NSC-76565
    • 2-Butyn-1,4-diol diacetate
    • InChI=1/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H
    • SCHEMBL487316
    • 2-Butyne-1,4-diol diacetate, 95%
    • FT-0666329
    • AKOS005215912
    • 2-Butyne-1,4-diyl diacetate
    • FT-0664175
    • EINECS 216-394-4
    • 4-(acetyloxy)but-2-yn-1-yl acetate
    • J-009562
    • DTXCID10885148
    • MDL: MFCD07369301
    • Inchi: 1S/C8H10O4/c1-7(9)11-5-3-4-6-12-8(2)10/h5-6H2,1-2H3
    • InChI Key: TVIMIQVBDDNCCR-UHFFFAOYSA-N
    • SMILES: O(C(C)=O)CC#CCOC(C)=O

Computed Properties

  • Exact Mass: 170.05800
  • Monoisotopic Mass: 170.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 208
  • 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: nothing
  • XLogP3: 0.1
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Color/Form: Solids
  • Density: 1.125?g/mL?at 25?°C(lit.)
  • Melting Point: 102 oC
  • Boiling Point: 235°C(lit.)
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: n20/D 1.454(lit.)
  • PSA: 52.60000
  • LogP: 0.11600
  • Solubility: Not determined

1,4-Diacetyl-2-butyne-1,4-diol Security Information

  • Hazardous Material transportation number:3272
  • WGK Germany:3
  • Hazard Category Code: 10-36/37/38
  • Safety Instruction: S16-S26-S36
  • TSCA:Yes
  • Risk Phrases:R10; R36/37/38
  • Safety Term:S16-S26-S36

1,4-Diacetyl-2-butyne-1,4-diol Customs Data

  • HS CODE:2915390090
  • Customs Data:

    China Customs Code:

    2915390090

    Overview:

    2915390090. Other acetate esters. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods). MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Regulatory conditions:

    A.Customs clearance form for Inbound Goods
    B.Customs clearance form for outbound goods

    Inspection and quarantine category:

    R.Sanitary supervision and inspection of imported food
    S.Sanitary supervision and inspection of exported food
    M.Import commodity inspection
    N.Export commodity inspection

    Summary:

    2915390090. esters of acetic acid. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:5.5%. General tariff:30.0%

1,4-Diacetyl-2-butyne-1,4-diol Pricemore >>

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