Cas no 5432-85-9 (4-Isopropylcyclohexanone)

4-Isopropylcyclohexanone is a cyclic ketone featuring an isopropyl substituent at the 4-position of the cyclohexanone ring. This compound is commonly utilized as an intermediate in organic synthesis, particularly in the production of fragrances, pharmaceuticals, and specialty chemicals. Its structure offers steric and electronic properties that make it valuable for selective functionalization and ring modification reactions. The cyclohexanone backbone provides stability, while the isopropyl group enhances lipophilicity, influencing solubility and reactivity in various synthetic pathways. The compound is typically characterized by its clear to pale-yellow appearance and moderate volatility, ensuring compatibility with standard laboratory handling procedures.
4-Isopropylcyclohexanone structure
4-Isopropylcyclohexanone structure
Product Name:4-Isopropylcyclohexanone
CAS No:5432-85-9
MF:C9H16O
MW:140.222743034363
MDL:MFCD00043479
CID:85349
PubChem ID:79488
Update Time:2025-05-28

4-Isopropylcyclohexanone Chemical and Physical Properties

Names and Identifiers

    • 4-Isopropylcyclohexanone
    • 4-ISO-PROPYLCYCLOHEXANONE
    • 4-propan-2-ylcyclohexan-1-one
    • 4-(1-Methylethyl)cyclohexanone
    • NSC 21125
    • Cyclohexanone, 4-(1-methylethyl)-
    • 4-(propan-2-yl)cyclohexan-1-one
    • Cyclohexanone, 4-isopropyl-
    • 4-Isopropylcyclohexan-1-one
    • 4-isopropyl-cyclohexanone
    • FPKISACHVIIMRA-UHFFFAOYSA-N
    • 4-(methylethyl)cyclohexan-1-one
    • NSC21125
    • 4-isopropyl cyclohexanone
    • 4-iso-propyl-cyclohexanone
    • ZIN
    • AI3-39194
    • NS00033047
    • SY029297
    • DTXSID4063878
    • EINECS 226-592-2
    • JA8S3CU9U5
    • BCP30883
    • 4-Isopropylcyclohexanone, 96%
    • AS-31101
    • 5432-85-9
    • AKOS008901267
    • SCHEMBL852532
    • MFCD00043479
    • CS-W011030
    • A830104
    • NSC-21125
    • 4-Isopropylcyclohexanone, AldrichCPR
    • EN300-61099
    • Cyclohexanone, 4-(1-methylethyl)-; Cyclohexanone, 4-isopropyl-; 4-Isopropylcyclohexan-1-one
    • Z959274754
    • FT-0618840
    • DTXCID1041683
    • MDL： MFCD00043479
    • Inchi： 1S/C9H16O/c1-7(2)8-3-5-9(10)6-4-8/h7-8H,3-6H2,1-2H3
    • InChI Key： FPKISACHVIIMRA-UHFFFAOYSA-N
    • SMILES： O=C1CCC(CC1)C(C)C
    • BRN： 1236952

Computed Properties

  • Exact Mass: 140.12000
  • Monoisotopic Mass: 140.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 117
  • 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: 2
  • XLogP3: 2.2
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.904±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: 32.57°C (estimate)
  • Boiling Point: 214-214.5 oC
  • Flash Point: 65.0±10.7 oC,
  • Refractive Index: 1.4574 (589.3 nm 24 oC)
  • Solubility: Slightly soluble (1.7 g/l) (25 o C),
  • Water Partition Coefficient: Soluble in alcohol. Insoluble in water.
  • PSA: 17.07000
  • LogP: 2.40170
  • Solubility: Not determined

4-Isopropylcyclohexanone Security Information

  • Hazard Category Code： R37/38;R41
  • Safety Instruction： S23-S24/25
  • Hazardous Material Identification： Xi
  • Safety Term：S24/25
  • TSCA：T

4-Isopropylcyclohexanone Customs Data

  • HS CODE：2914299000
  • Customs Data：

    China Customs Code:

    2914299000

    Overview:

    2914299000. Other cycloalkanones without other oxygen-containing groups\Cyclic enone or cyclic terpenone. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

4-Isopropylcyclohexanone Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
I138967-1g
4-Isopropylcyclohexanone
 5432-85-9 ≥96%
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 ￥196.90 2023-09-02
SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd.
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SHANG HAI YI EN HUA XUE JI SHU Co., Ltd.
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SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
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Fluorochem
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Fluorochem
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 ￡271.00 2022-02-28

4-Isopropylcyclohexanone Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:5432-85-9)4-Isopropylcyclohexanone
Order Number:A830104
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:15
Price ($):266.0

4-Isopropylcyclohexanone Related Literature

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Recommended suppliers
Amadis Chemical Company Limited
(CAS:5432-85-9)4-Isopropylcyclohexanone
A830104
Purity:99%
Quantity:25g
Price ($):266.0
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