T9964330
2,2,3-Trimethylbutane , >96.0%(GC) , 464-06-2
Synonym(s):
Pentamethylethane;Triptane
CAS NO.：464-06-2
Empirical Formula: C7H16
Molecular Weight: 100.2
MDL number: MFCD00039846
EINECS: 207-346-3
Update time: 2022-07-08
PRODUCT Properties
| Melting point: | −25 °C(lit.) |
| Boiling point: | 80.9 °C(lit.) |
| Density | 0.69 g/mL at 25 °C(lit.) |
| vapor pressure | 3.37 psi ( 37.7 °C) |
| refractive index | n |
| Flash point: | 20 °F |
| form | Liquid |
| color | Clear colorless |
| explosive limit | ~7% |
| Water Solubility | 4.38mg/L at 25℃ |
| Specific Heat Capacity | Cp(liquid): 213.5 J/(g·K), at 25℃ |
| Thermal Conductivity | 0.124 W/(m·K) at 25 ℃ |
| BRN | 1730756 |
| Henry's Law Constant | 3.2×10-6 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| Dielectric constant | 1.9（20℃） |
| Exposure limits | TLV-TWA: 200 ppm; TLV-STEL: 400 ppm |
| InChI | 1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3 |
| InChIKey | ZISSAWUMDACLOM-UHFFFAOYSA-N |
| SMILES | CC(C)C(C)(C)C |
| LogP | 3.59 |
| CAS DataBase Reference | 464-06-2(CAS DataBase Reference) |
| EPA Substance Registry System | 2,2,3-Trimethylbutane (464-06-2) |
Description and Uses
2,2,3-Trimethylbutane (i.e., triptane) is a potential gasoline octane booster with a research octane number (RON) of 112. it is also used as a fuel additive and in comparative rate of thermal decomposition (CRTD) single-pulse surge tube studies[1-2].
Organic synthesis, aviation fuel.
Safety
| Symbol(GHS) |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H315-H336-H304-H410-H225 |
| Precautionary statements | P501-P261-P273-P240-P210-P233-P243-P241-P242-P271-P264-P280-P370+P378-P391-P331-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 |
| target organs | Central nervous system |
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN 1206 3/PG 2 |
| WGK Germany | 1 |
| Autoignition Temperature | 842 °F |
| TSCA | TSCA listed |
| HazardClass | 3.1 |
| PackingGroup | II |
| HS Code | 29011000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Aquatic Acute 1 Aquatic Chronic 1 Asp. Tox. 1 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3 |
| REACH Registrations | Active |
