4-Methylheptane
ALDRICH/111023 - 99%
Synonym: 4-methyl-heptane
CAS Number: 589-53-7
Empirical Formula (Hill Notation): C8H18
Molecular Weight: 114.23
EC Number: 209-650-1
MDL Number: MFCD00009409
Linear Formula: (CH3CH2CH2)2CHCH3
Product Type: Chemical
| assay | 99% |
| bp | 117-118 °C (lit.) |
| density | 0.705 g/mL at 25 °C (lit.) |
| InChI | 1S/C8H18/c1-4-6-8(3)7-5-2 |
| InChI key | CHBAWFGIXDBEBT-UHFFFAOYSA |
| mp | −121 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCCC(C)CCC |
| vapor pressure | 0.77 psi ( 37.7 °C) |
| Application: | 4-Methylheptane was used as a reference substance to identify the volatile organic compounds (VOCs) in the headspace of cultures containing different MAP strains, using solid phase micro extraction and gas chromatography/mass spectrometry (SPME-GC-MS). |
| Packaging: | 1 g in ampule |
| Symbol |     GHS02,GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H336 - H410 |
| Precautionary statements | P210 - P273 - P301 + P310 + P331 - P302 + P352 |
| Hazard Codes | F,Xn,N |
| Risk Statements | 11-38-50/53-65-67 |
| Safety Statements | 9-16-29-33-60-61-62 |
| RIDADR | UN1262 - class 3 - PG 2 - Octanes |
| WGK Germany | WGK 2 |
| Flash Point(F) | 39.2 °F - closed cup |
| Flash Point(C) | 4 °C - closed cup |
| Purity | 99% |
| bp | 117-118 °C (lit.) |
| mp | −121 °C (lit.) |
| Density | 0.705 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |