Cas no 23074-59-1 (3-Isobutoxy-2-cyclohexen-1-one)
3-Isobutoxy-2-cyclohexen-1-one is a cyclic enone derivative characterized by its isobutoxy substituent at the 3-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the construction of complex cyclic frameworks. Its α,β-unsaturated carbonyl structure makes it a valuable electrophile for Michael additions and other conjugate addition reactions. The isobutoxy group enhances solubility in organic solvents and can influence reactivity patterns in subsequent transformations. This compound is of interest in pharmaceutical and agrochemical research, where it may be employed as a building block for bioactive molecules. Care should be taken during handling due to potential reactivity of the enone moiety.
23074-59-1 structure
Product Name:3-Isobutoxy-2-cyclohexen-1-one
CAS No:23074-59-1
MF:C10H16O2
MW:168.232843399048
MDL:MFCD00143170
CID:281267
PubChem ID:89991
Update Time:2025-06-07
3-Isobutoxy-2-cyclohexen-1-one Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclohexen-1-one,3-(2-methylpropoxy)-
- 3-(2-methylpropoxy)cyclohex-2-en-1-one
- 3-Isobutoxy-2-cyclohexen-1-one
- 3-ISOBUTOXY-2-CYCLOHEXENONE
- 3-isobutoxycyclohex-2-en-1-one
- 3-Isobutoxy-cyclohex-2-enon
- 3-isobutoxy-cyclohex-2-enone
- 3-Isobutyloxy-1-oxo-cyclohexen-(2)
- EINECS 245-414-4
- 23074-59-1
- FKJAZODXPHIGOL-UHFFFAOYSA-N
- FT-0692192
- 3-(2-Methylpropoxy)-2-cyclohexen-1-one
- SCHEMBL16321161
- AKOS017343053
- Z1255419487
- 2-Cyclohexen-1-one, 3-(2-methylpropoxy)-
- 3-Isobutoxycyclohex-2-enone
- MFCD00143170
- DTXSID00177645
- EN300-86304
- NS00027346
-
- MDL： MFCD00143170
- Inchi： 1S/C10H16O2/c1-8(2)7-12-10-5-3-4-9(11)6-10/h6,8H,3-5,7H2,1-2H3
- InChI Key： FKJAZODXPHIGOL-UHFFFAOYSA-N
- SMILES： O(CC(C)C)C1=CC(CCC1)=O
Computed Properties
- Exact Mass: 168.11500
- Monoisotopic Mass: 168.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 192
- 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
- Topological Polar Surface Area: 26.3A^2
- Surface Charge: 0
- Tautomer Count: 5
- XLogP3: 1.9
Experimental Properties
- Color/Form: Undetermined 2. density (g/ml, 25/4 ℃)
- Density: 0.9812 (rough estimate)
- Boiling Point: 257.18°C (rough estimate)
- Flash Point: 116 °C
- Refractive Index: 1.489-1.493
- PSA: 26.30000
- LogP: 2.29590
3-Isobutoxy-2-cyclohexen-1-one Customs Data
- HS CODE：2914509090
- Customs Data：
China Customs Code:
2914509090Overview:
2914509090 Ketones containing other oxygen-containing groups. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%
3-Isobutoxy-2-cyclohexen-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | I789298-50mg |
3-Isobutoxy-2-cyclohexen-1-one |
23074-59-1 | 50mg |
$ 70.00 | 2022-06-04 | ||
| TRC | I789298-100mg |
3-Isobutoxy-2-cyclohexen-1-one |
23074-59-1 | 100mg |
$ 95.00 | 2022-06-04 | ||
| TRC | I789298-500mg |
3-Isobutoxy-2-cyclohexen-1-one |
23074-59-1 | 500mg |
$ 340.00 | 2022-06-04 | ||
| A2B Chem LLC | AB21821-50mg |
2-Cyclohexen-1-one, 3-(2-methylpropoxy)- |
23074-59-1 | 95% | 50mg |
$80.00 | 2023-12-31 | |
| A2B Chem LLC | AB21821-100mg |
2-Cyclohexen-1-one, 3-(2-methylpropoxy)- |
23074-59-1 | 95% | 100mg |
$105.00 | 2023-12-31 | |
| A2B Chem LLC | AB21821-250mg |
2-Cyclohexen-1-one, 3-(2-methylpropoxy)- |
23074-59-1 | 95% | 250mg |
$132.00 | 2023-12-31 | |
| A2B Chem LLC | AB21821-500mg |
2-Cyclohexen-1-one, 3-(2-methylpropoxy)- |
23074-59-1 | 95% | 500mg |
$220.00 | 2023-12-31 | |
| A2B Chem LLC | AB21821-1g |
2-Cyclohexen-1-one, 3-(2-methylpropoxy)- |
23074-59-1 | 95% | 1g |
$305.00 | 2023-12-31 | |
| Enamine | EN300-86304-1g |
3-(2-methylpropoxy)cyclohex-2-en-1-one |
23074-59-1 | 95% | 1g |
$256.0 | 2023-09-02 | |
| Enamine | EN300-86304-5g |
3-(2-methylpropoxy)cyclohex-2-en-1-one |
23074-59-1 | 95% | 5g |
$743.0 | 2023-09-02 |
3-Isobutoxy-2-cyclohexen-1-one Related Literature
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
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
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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