Cas no 42161-41-1 (3-Methyl-5-pentyl-2-cyclohexen-1-one)
42161-41-1 structure
Product Name:3-Methyl-5-pentyl-2-cyclohexen-1-one
CAS No:42161-41-1
MF:C12H20O
MW:180.286603927612
CID:55524
PubChem ID:12523943
Update Time:2025-04-18
3-Methyl-5-pentyl-2-cyclohexen-1-one Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-5-pentyl-2-cyclohexen-1-one
- 3-methyl-5-pentylcyclohex-2-en-1-one
- 3-METHYL-5-PENTYLCYCLOHEX-2-ENONE
- 2-cyclohexen-1-one,3-methyl-5-pentyl
- 3-Methyl-5-pentyl-cyclohex-2-en-1-on
- 3-Methyl-5-pentylcyclohex-2-enon
- 42161-41-1
- DTXSID90501298
- SCHEMBL15526574
- AKOS006289718
- 2-Cyclohexen-1-one,3-methyl-5-pentyl-
-
- Inchi： 1S/C12H20O/c1-3-4-5-6-11-7-10(2)8-12(13)9-11/h8,11H,3-7,9H2,1-2H3
- InChI Key： BMUDGWMQAIVVST-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)CC(C1)CCCCC
Computed Properties
- Exact Mass: 180.15100
- Monoisotopic Mass: 180.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 203
- 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: 3.4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.895
- Boiling Point: 268 oC
- Flash Point: 114 oC
- Refractive Index: 1.461
- PSA: 17.07000
- LogP: 3.49210
3-Methyl-5-pentyl-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-pentyl-2-cyclohexen-1-one Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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