Product name：isobutyl caproate

Computed Properties

• Exact Mass: 172.14600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Monoisotopic Mass: 172.146
• Heavy Atom Count: 12
• Complexity: 119
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count : 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• Covalently-Bonded Unit Count: 1
• XLogP3: 3.4
• Tautomer Count: nothing
• Surface Charge: 0
• Topological Polar Surface Area: 26.3A^2

Experimental Properties

• LogP: 2.76590
• PSA: 26.30000
• Refractive Index: 1.414
• Boiling Point: 348-350 ºC
• Melting Point: -64.3°C (estimate)
• Flash Point: 169 ºF
• FEMA: 2202
• Color/Form: Transparent, colorless to yellow liquid. It has apple and cocoa aromas, with green aroma, wax aroma, fresh pulp, tropical fruit and jackfruit aroma
• Solubility: Dissolve in ethanol
• Density: 0.856

• Symbol: GHS07
• RTECS：MO8389000
• WGK Germany：2
• Safety Instruction：26
• Dangerous goods sign： Xi
• Hazard Statement：H315,H319
• Warning Statement：P305+P351+P338
• Prompt：warning
• Storage Condition：Keep in a cool, dry, dark place, in a sealed container or cylinder. Keep away from incompatible materials, sources of ignition, and untrained people. Safety label area. Protect container / cylinder from physical injury.
• Hazard Category Code：36/37
• Signal Word：Warning

• HS CODE：2915900090
• Customs Data：

  China Customs Code:

  2915900090

  Overview:

  2915900090. Other saturated acyclic monocarboxylic acids and their anhydrides(Acyl halide\Peroxygenation)Chemicals\Peroxy acid and its halogenation\nitrification\sulfonation\Nitrosative derivative. 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: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:

  2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

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• 3. Exploiting the real wastewater potential for resource recovery – n-caproate production from acid whey Anna Duber,Lukasz Jaroszynski,Roman Zagrodnik,Joanna Chwialkowska,Wojciech Juzwa,Slawomir Ciesielski,Piotr Oleskowicz-Popiel Green Chem. 2018 20 3790
• 4. Green hydrogen and platform chemicals production from acidogenic conversion of brewery spent grains co-fermented with cheese whey wastewater: adding value to acidogenic CO2 Omprakash Sarkar,Ulrika Rova,Paul Christakopoulos,Leonidas Matsakas Sustainable Energy Fuels 2022 6 778
• 5. A new series of tetrahedral Co(ii) complexes [CoLX2] (X = NCS, Cl, Br, I) manifesting single-ion magnet features Amit Kumar Mondal,Mahesh Sundararajan,Sanjit Konar Dalton Trans. 2018 47 3745
• 6. Characterization of key aroma compounds in Meilanchun sesame flavor style baijiu by application of aroma extract dilution analysis, quantitative measurements, aroma recombination, and omission/addition experiments Jinyuan Sun,Qinya Li,Siqi Luo,Jinglin Zhang,Mingquan Huang,Feng Chen,Fuping Zheng,Xiaotao Sun,Hehe Li RSC Adv. 2018 8 23757
• 7. An insight into key volatile compounds in acerola (Malpighia emarginata DC.) pulp based on their odour activity values and chemometric evaluation Juliete Pedreira Nogueira,Airla Carla Pires de Siqueira,Rafael Donizete Dutra Sandes,Mércia de Sousa Galv?o,Maria Terezinha Santos Leite Neta,Narendra Narain Anal. Methods 2018 10 5851
• 8. Tracing internal quality and aroma of a red-fleshed kiwifruit during ripening by means of GC-MS and E-nose Dongdong Du,Min Xu,Jun Wang,Shuang Gu,Luyi Zhu,Xuezhen Hong RSC Adv. 2019 9 21164
• 9. Herbicides. Part I. Crystal structure of 2,4-D (2,4-dichlorophenoxyacetic acid) Graham Smith,Colin H. L. Kennard,Alan H. White J. Chem. Soc. Perkin Trans. 2 1976 791
• 10. Effect of sea-buckthorn pulp and flaxseed residues on quality and shelf life of bread Xin Guo,Longkai Shi,Shuai Yang,Roujia Yang,Xinyue Dai,Tao Zhang,Ruijie Liu,Ming Chang,Qingzhe Jin,Xingguo Wang Food Funct. 2019 10 4220

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