Cas no 13680-30-3 (2-tert-butyl-6-methylphenyl isocyanate)
2-tert-Butyl-6-methylphenyl isocyanate is a specialized aromatic isocyanate compound characterized by its sterically hindered structure due to the presence of tert-butyl and methyl substituents on the phenyl ring. This structural feature enhances its stability and reactivity selectivity, making it valuable in the synthesis of high-performance polyurethanes, coatings, and adhesives. The electron-withdrawing nature of the isocyanate group, combined with the steric effects of the substituents, allows for controlled reactions with nucleophiles such as alcohols and amines, enabling tailored polymer properties. Its robust chemical stability under various conditions makes it suitable for applications requiring durability and resistance to environmental degradation. The compound is particularly useful in advanced material science for developing thermally stable and mechanically robust polymeric systems.
13680-30-3 structure
Product Name:2-tert-butyl-6-methylphenyl isocyanate
CAS No:13680-30-3
MF:C12H15NO
MW:189.253603219986
MDL:MFCD00037033
CID:87093
PubChem ID:24871476
Update Time:2025-07-02
2-tert-butyl-6-methylphenyl isocyanate Chemical and Physical Properties
Names and Identifiers
-
- 2-tert-butyl-6-methylphenyl isocyanate
- 1-tert-butyl-2-isocyanato-3-methylbenzene
- 2-METHYL-6-T-BUTYLPHENYL ISOCYANATE
- 1-(tert-butyl)-2-isocyanato-3-Methylbenzene
- DTXSID70393052
- AS-63861
- SCHEMBL1456973
- FT-0613423
- 1-tert-butyl-2-isocyanato-3-methyl-benzene
- VCHAHDOWZAYVEM-UHFFFAOYSA-N
- 13680-30-3
- AKOS015912657
- J-006914
- A807138
-
- MDL： MFCD00037033
- Inchi： 1S/C12H15NO/c1-9-6-5-7-10(12(2,3)4)11(9)13-8-14/h5-7H,1-4H3
- InChI Key： VCHAHDOWZAYVEM-UHFFFAOYSA-N
- SMILES： O=C=NC1C(C)=CC=CC=1C(C)(C)C
- BRN： 2362965
Computed Properties
- Exact Mass: 189.11500
- Monoisotopic Mass: 189.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 235
- 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: nothing
- XLogP3: 4.8
- Topological Polar Surface Area: 29.4A^2
Experimental Properties
- Color/Form: White pungent odor solid
- Density: 1.0160 (estimate)
- Melting Point: 34-38?°C (lit.)
- Boiling Point: 242?°C(lit.)
- Flash Point: Degrees Fahrenheit:228.2°F
Degrees Celsius:109°C - Refractive Index: 1.5230 (estimate)
- PSA: 29.43000
- LogP: 3.25980
- Solubility: Hydrolysable
- Sensitiveness: Moisture Sensitive
2-tert-butyl-6-methylphenyl isocyanate Security Information
-
Symbol:
- Signal Word：Warning
- Hazard Statement： H302-H312-H315-H319-H332-H335
- Warning Statement： P261-P280-P305+P351+P338
- Hazardous Material transportation number：UN 2811
- WGK Germany：3
- Hazard Category Code： 20/21/22-36/37/38
- Safety Instruction： S22-S26-S36/37/39-S45
-
Hazardous Material Identification：
- Packing Group：III
- Hazard Level：6.1
- Safety Term：6.1
- Packing Group：III
- Risk Phrases：R20/22; R36/37/38; R42
- HazardClass：6.1
- PackingGroup：III
2-tert-butyl-6-methylphenyl isocyanate 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%
2-tert-butyl-6-methylphenyl isocyanate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | F-GC288-200mg |
2-tert-Butyl-6-methylphenyl isocyanate |
13680-30-3 | 98% | 200mg |
￥247.0 | 2022-02-28 | |
| eNovation Chemicals LLC | D769268-1g |
2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE |
13680-30-3 | 98% | 1g |
$190 | 2023-09-04 | |
| A2B Chem LLC | AB63011-100mg |
2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE |
13680-30-3 | 98% | 100mg |
$78.00 | 2024-04-20 | |
| A2B Chem LLC | AB63011-1g |
2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE |
13680-30-3 | 98% | 1g |
$222.00 | 2024-04-20 | |
| A2B Chem LLC | AB63011-5g |
2-TERT-BUTYL-6-METHYLPHENYL ISOCYANATE |
13680-30-3 | 98% | 5g |
$828.00 | 2024-04-20 |
2-tert-butyl-6-methylphenyl isocyanate Related Literature
-
1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
13680-30-3 (2-tert-butyl-6-methylphenyl isocyanate) Related Products
- 28178-42-9(2,6-Diisopropylphenyl isocyanate)
- 56309-56-9(2-isopropylphenyl isocyanate)
- 75746-71-3(2-Ethyl-6-methylphenyl isocyanate)
- 20458-99-5(1,3-diethyl-2-isocyanatobenzene)
- 40411-25-4(1-ethyl-2-isocyanatobenzene)
- 102561-43-3(2-isopropyl-6-methylphenyl isocyanate)
- 102561-41-1(Benzene,1-ethyl-2-isocyanato-3-(1-methylethyl)-)
- 480438-99-1(2 5-DI-TERT-BUTYLPHENYL ISOCYANATE 97)
- 480439-17-6(2-SEC-BUTYLPHENYL ISOCYANATE 97)
- 56309-60-5(2-(tert-Butyl)phenyl isocyanate)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
