Cas no 3720-17-0 (3-Methyl-5-hexyl-2-cyclohexen-1-one)
3720-17-0 structure
Product Name:3-Methyl-5-hexyl-2-cyclohexen-1-one
CAS No:3720-17-0
MF:C13H22O
MW:194.313184261322
CID:44425
PubChem ID:12523944
Update Time:2025-04-18
3-Methyl-5-hexyl-2-cyclohexen-1-one Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-5-hexyl-2-cyclohexen-1-one
- 5-hexyl-3-methylcyclohex-2-en-1-one
- 2-Cyclohexen-1-one,5-hexyl-3-methyl
- 3-methyl-5-hexylcyclohex-2-en-1-one
- 5-Hexyl-3-methylcyclohex-2-enon
- 5-hexyl-3-methyl-cyclohex-2-enone
- AKOS006331610
- 3-methyl-5-hexyl-2-cyclohexenone
- 3720-17-0
- SCHEMBL15526449
- 2-Cyclohexen-1-one,5-hexyl-3-methyl-
- DTXSID50501299
-
- Inchi: 1S/C13H22O/c1-3-4-5-6-7-12-8-11(2)9-13(14)10-12/h9,12H,3-8,10H2,1-2H3
- InChI Key: ZIUUAIVSQOVUNK-UHFFFAOYSA-N
- SMILES: O=C1C=C(C)CC(C1)CCCCCC
Computed Properties
- Exact Mass: 194.16700
- Monoisotopic Mass: 194.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 215
- 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: 4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.892
- Boiling Point: 286.2 ℃ at 760mmHg
- Flash Point: 123.5 ℃
- Refractive Index: 1.462
- PSA: 17.07000
- LogP: 3.88220
3-Methyl-5-hexyl-2-cyclohexen-1-one Customs Data
- HS CODE:2914299000
- Customs Data:
China Customs Code:
2914299000Overview:
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%
3-Methyl-5-hexyl-2-cyclohexen-1-one Related Literature
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1. Crystal and molecular structure of dibromotricarbonyl[1,2-bis(diphenylphosphino)ethane]molybdenum(II)–1-acetoneMichael G. B. Drew J. Chem. Soc. Dalton Trans. 1972 1329
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