1-Octyne
ALDRICH/244465 - 97%
Synonym: 1-Ethynylhexane; Hexylacetylene; n-Hexylacetylene
CAS Number: 629-05-0
Empirical Formula (Hill Notation): C8H14
Molecular Weight: 110.20
MDL Number: MFCD00009546
Linear Formula: CH3(CH2)5C≡CH
Product Type: Chemical
ATR-IR Spectra for 1-Octyne.
| assay | 97% |
| bp | 127-128 °C (lit.) |
| density | 0.747 g/mL at 25 °C (lit.) |
| form | liquid |
| impurities | ≤3% 1-bromohexane |
| InChI | 1S/C8H14/c1-3-5-7-8-6-4-2 |
| InChI key | UMIPWJGWASORKV-UHFFFAOYSA |
| mp | −80 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCCCCCC#C |
| vapor pressure | 37.7 mmHg ( 37.7 °C) |
| Application: | 1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase). |
| Packaging: | 25, 100 g in glass bottle |
| Symbol |   GHS02,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H304 |
| Precautionary statements | P210 - P233 - P240 - P241 - P301 + P310 - P331 |
| Hazard Codes | F,Xn |
| Risk Statements | 11-65 |
| Safety Statements | 16-62 |
| RIDADR | UN 3295BF 3 / PGII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 60.8 °F - closed cup |
| Flash Point(C) | 16 °C - closed cup |
| Purity | 97% |
| bp | 127-128 °C (lit.) |
| mp | −80 °C (lit.) |
| Density | 0.747 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |