3-Isopropenyl-α,α-dimethylbenzyl isocyanate
Also known as: 1-(1-isocyanato-1-methylethyl)-3-(1-methylethenyl)benzene, 1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene, m-Isopropenyl-α,α-dimethylbenzyl isocyanate, m-TMI, meta-TMI, 3-Isopropenylcumyl isocyanate, Isocyanic acid 3-isopropenyl-α,α-dimethylbenzyl ester, alpha,alpha-Dimethyl-m-isopropenylbenzyl isocyanate, m-tetramethylxylene isocyanate
3-Isopropenyl-α,α-dimethylbenzyl isocyanate (CAS 2094-99-7) is a compound in the Organic Acids category listed in the Jingsj chemical database. It has the molecular formula C13H15NO and a molecular weight of 201.26400 g/mol. Key properties include a boiling point of 268-271 °C(lit.), a density of 1.018 g/mL at 25 °C(lit.) and a flash point of >110.0 °C. It is classified under GHS with signal word Danger and hazard statements H314 — Causes severe skin burns and eye damage, H317 — May cause an allergic skin reaction and H330 — Fatal if inhaled. No supplier offers are currently listed; request a quote. Record last updated Nov 3, 2026.
- CAS No.
- 2094-99-7
- Jingsj CID
- J-3396-5
- Molecular Formula
- C13H15NO
- Molecular Weight
- 201.26400 g/mol
- Category
- Organic Acids
- Last updated
- 11/3/2026
No offers for this compound yet.
Request a quotePhysicochemical Properties
| Boiling Point | 268-271 °C(lit.) |
|---|---|
| Density | 1.018 g/mL at 25 °C(lit.) |
| Flash Point | >110.0 °C |
| Exact Mass | 201.11500 |
| PSA | 29.43000 |
| LogP | 3.29060 |
| Vapor Pressure | 0.00723mmHg at 25°C |
| Refractive Index | n20/D 1.53(lit.) |
GHS Safety & Compliance
- H314 — Causes severe skin burns and eye damage
- H317 — May cause an allergic skin reaction
- H330 — Fatal if inhaled
- H334 — May cause allergy or asthma symptoms if inhaled
- H373 — May cause damage to organs through prolonged exposure
- H410 — Very toxic to aquatic life with long lasting effects
Customs & Trade Information
| HS Code | 2929109000 |
|---|---|
| Summary | 2929109000. other isocyanates. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
Frequently Asked Questions
What is the CAS number of 3-Isopropenyl-α,α-dimethylbenzyl isocyanate?
The CAS number of 3-Isopropenyl-α,α-dimethylbenzyl isocyanate is 2094-99-7.
What are the molecular formula and molecular weight of 3-Isopropenyl-α,α-dimethylbenzyl isocyanate?
3-Isopropenyl-α,α-dimethylbenzyl isocyanate has molecular formula C13H15NO and molecular weight 201.26400 g/mol.
Is 3-Isopropenyl-α,α-dimethylbenzyl isocyanate hazardous?
3-Isopropenyl-α,α-dimethylbenzyl isocyanate has GHS signal word Danger and hazard statements H314 — Causes severe skin burns and eye damage; H317 — May cause an allergic skin reaction; H330 — Fatal if inhaled.
What are the upstream and downstream products of 3-Isopropenyl-α,α-dimethylbenzyl isocyanate?
For 3-Isopropenyl-α,α-dimethylbenzyl isocyanate, Upstream Products: Isocyanic acid, 1,3-diisopropenylbenzene.
Data compiled from public chemical databases such as PubChem and supplier catalogs; supplier offers are provided by suppliers.
Last updated:
How to cite: Jingsj. "3-Isopropenyl-α,α-dimethylbenzyl isocyanate (CAS 2094-99-7)". Jingsj Chemical Database. https://www.jingsj.com/compound/J-3396-5 (accessed 2026-11-09).
Data for reference only; verify product details with suppliers before purchase.