Cas no 1611-65-0 (1-Isocyanato-3-methylbutane)
1-Isocyanato-3-methylbutane is a monofunctional isocyanate with the molecular formula C?H??NO. It is characterized by its reactive isocyanate group, which enables efficient crosslinking in polyurethane and polyurea formulations. The branched alkyl structure of the 3-methylbutane moiety contributes to improved solubility in organic solvents and enhanced flexibility in polymer matrices. This compound is commonly utilized in coatings, adhesives, and elastomers, where it provides balanced reactivity and mechanical properties. Its relatively low volatility compared to smaller isocyanates improves handling safety. Storage under anhydrous conditions is recommended to prevent premature polymerization. Suitable for industrial applications requiring controlled curing kinetics and durable end products.
1-Isocyanato-3-methylbutane structure
Product Name:1-Isocyanato-3-methylbutane
CAS No:1611-65-0
MF:C6H11NO
MW:113.157641649246
MDL:MFCD09901277
CID:173046
PubChem ID:6451294
Update Time:2025-10-22
1-Isocyanato-3-methylbutane Chemical and Physical Properties
Names and Identifiers
-
- Butane,1-isocyanato-3-methyl-
- 1-ISOCYANATO-3-METHYLBUTANE
- 1-isocyanato-3-methyl-butane
- Butane,1-isocyanato-3-methyl
- isoamyl isocyanate
- Isoamylcarbonimid
- Isoamylisocyanat
- Isocyanic acid,isopentyl ester
- Isocyansaeure-isoamylester
- isopentyl isocyanate
- Isopentylisocyanat
- SCHEMBL3843212
- 1-isocyanato-3-methylbutane, AldrichCPR
- EN300-110160
- FT-0679341
- 3-methylbutyl isocyanate
- AB54602
- Butane, 1-isocyanato-3-methyl-
- 1611-65-0
- DTXSID60167062
- AKOS005171712
- Isocyanic acid, isopentyl ester
- NS-01013
- MFCD09901277
- 1-Isocyanato-3-methylbutane
-
- MDL： MFCD09901277
- Inchi： 1S/C6H11NO/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
- InChI Key： UQNAQAROTUILLB-UHFFFAOYSA-N
- SMILES： O=C=NCCC(C)C
Computed Properties
- Exact Mass: 113.08400
- Monoisotopic Mass: 113.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 92.7
- 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: 29.4A^2
- XLogP3: 2.7
Experimental Properties
- Density: 0.8060
- Boiling Point: 151.9°C (estimate)
- Flash Point: 32.3°C
- Refractive Index: 1.4060
- PSA: 29.43000
- LogP: 1.36830
1-Isocyanato-3-methylbutane Customs Data
- HS CODE：2929109000
- Customs Data：
China Customs Code:
2929109000Overview:
2929109000. Other isocyanates. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
1-Isocyanato-3-methylbutane Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 044448-1g |
1-Isocyanato-3-methylbutane |
1611-65-0 | 1g |
￡132.00 | 2022-03-01 | ||
| Fluorochem | 044448-5g |
1-Isocyanato-3-methylbutane |
1611-65-0 | 5g |
￡460.00 | 2022-03-01 | ||
| TRC | I248320-250mg |
1-Isocyanato-3-methylbutane |
1611-65-0 | 250mg |
$ 275.00 | 2022-06-02 | ||
| TRC | I248320-500mg |
1-Isocyanato-3-methylbutane |
1611-65-0 | 500mg |
$ 450.00 | 2022-06-02 | ||
| TRC | I248320-1000mg |
1-Isocyanato-3-methylbutane |
1611-65-0 | 1g |
$ 720.00 | 2022-06-02 | ||
| Chemenu | CM342364-1g |
1-Isocyanato-3-methylbutane |
1611-65-0 | 95%+ | 1g |
$386 | 2023-02-02 | |
| Chemenu | CM342364-5g |
1-Isocyanato-3-methylbutane |
1611-65-0 | 95%+ | 5g |
$1343 | 2023-02-02 | |
| Chemenu | CM342364-10g |
1-Isocyanato-3-methylbutane |
1611-65-0 | 95%+ | 10g |
$2172 | 2023-02-02 | |
| eNovation Chemicals LLC | Y1263826-1g |
Butane, 1-isocyanato-3-methyl- |
1611-65-0 | 98% | 1g |
$430 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1263826-5g |
Butane, 1-isocyanato-3-methyl- |
1611-65-0 | 98% | 5g |
$1005 | 2024-06-07 |
1-Isocyanato-3-methylbutane Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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