Cas no 1081559-36-5 (3-Oxocyclobutyl benzoate)

3-Oxocyclobutyl benzoate is a cyclic ketone ester characterized by its cyclobutyl ring functionalized with a ketone group at the 3-position and a benzoate ester moiety. This compound is of interest in synthetic organic chemistry due to its structural rigidity and reactivity, making it a valuable intermediate for the preparation of more complex molecules. The presence of both the ketone and ester functionalities allows for versatile transformations, including nucleophilic additions, reductions, and cross-coupling reactions. Its well-defined stereochemistry and stability under mild conditions further enhance its utility in fine chemical synthesis and pharmaceutical research. The compound is typically handled under inert conditions to preserve its integrity.
3-Oxocyclobutyl benzoate structure
3-Oxocyclobutyl benzoate structure
Product Name:3-Oxocyclobutyl benzoate
CAS No:1081559-36-5
MF:C11H10O3
MW:190.195303440094
MDL:MFCD16140376
CID:1025931
PubChem ID:46840008
Update Time:2025-05-27

3-Oxocyclobutyl benzoate Chemical and Physical Properties

Names and Identifiers

    • 3-Oxocyclobutyl benzoate
    • 3-(benzoyloxy)Cyclobutanone
    • DA-25002
    • CS-0051227
    • DTXSID70676711
    • AKOS006336508
    • J-513014
    • SB11778
    • AS-34012
    • W-204656
    • 3-Oxocyclobutyl benzoate, AldrichCPR
    • SCHEMBL15193256
    • 3-Oxocyclobutylbenzoate
    • FDNDPGDWTKCCPF-UHFFFAOYSA-N
    • A895354
    • 1081559-36-5
    • (3-oxocyclobutyl) benzoate
    • AMY33759
    • MFCD16140376
    • MDL： MFCD16140376
    • Inchi： 1S/C11H10O3/c12-9-6-10(7-9)14-11(13)8-4-2-1-3-5-8/h1-5,10H,6-7H2
    • InChI Key： FDNDPGDWTKCCPF-UHFFFAOYSA-N
    • SMILES： O(C(C1C=CC=CC=1)=O)C1CC(C1)=O

Computed Properties

  • Exact Mass: 190.06300
  • Monoisotopic Mass: 190.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 233
  • 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
  • XLogP3: 1.3
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37000
  • LogP: 1.57490

3-Oxocyclobutyl benzoate Security Information

  • Hazard Category Code： 43
  • Safety Instruction： 36/37
  • Hazardous Material Identification： Xi

3-Oxocyclobutyl benzoate Customs Data

  • HS CODE：2916310090
  • Customs Data：

    China Customs Code:

    2916310090

    Overview:

    2916310090 Other benzoic acids and their salts and esters. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:AB(Customs clearance form for Inbound Goods,Customs clearance form for outbound goods) MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acrylic acid\Acrylates or esters shall be packaged clearly

    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:

    2916310090 other benzoic acid and its salts and esters.supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward).VAT:17.0%.tax rebate rate:9.0%.MFN tariff:6.5%.general tariff:30.0%

3-Oxocyclobutyl benzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Fluorochem
218236-250mg
3-Oxocyclobutyl benzoate
 1081559-36-5 95%
250mg
 ￡113.00 2022-03-01
Fluorochem
218236-1g
3-Oxocyclobutyl benzoate
 1081559-36-5 95%
1g
 ￡281.00 2022-03-01
Fluorochem
218236-5g
3-Oxocyclobutyl benzoate
 1081559-36-5 95%
5g
 ￡844.00 2022-03-01
TRC
O990268-5mg
3-Oxocyclobutyl Benzoate
 1081559-36-5
5mg
 $ 50.00 2022-06-03
TRC
O990268-10mg
3-Oxocyclobutyl Benzoate
 1081559-36-5
10mg
 $ 70.00 2022-06-03
TRC
O990268-50mg
3-Oxocyclobutyl Benzoate
 1081559-36-5
50mg
 $ 250.00 2022-06-03
Chemenu
CM105654-250mg
3-oxocyclobutyl benzoate
 1081559-36-5 95%+
250mg
 $159 2023-11-25
eNovation Chemicals LLC
D496522-250MG
3-oxocyclobutyl benzoate
 1081559-36-5 97%
250mg
 $140 2024-05-23
eNovation Chemicals LLC
D496522-500MG
3-oxocyclobutyl benzoate
 1081559-36-5 97%
500mg
 $225 2024-05-23
eNovation Chemicals LLC
D496522-1G
3-oxocyclobutyl benzoate
 1081559-36-5 97%
1g
 $300 2024-05-23

3-Oxocyclobutyl benzoate Related Literature

1081559-36-5 (3-Oxocyclobutyl benzoate) Related Products

Recommended suppliers
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
TAIXING JOXIN BIO-TEC CO.,LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
TAIXING JOXIN BIO-TEC CO.,LTD.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech 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