3-METHYLHEPTANE

CAS NO.：589-81-1
Empirical Formula: C8H18
Molecular Weight: 114.23
MDL number: MFCD00027244
EINECS: 209-660-6
SAFETY DATA SHEET (SDS)
Update Date: 2023-12-24 21:24:35

What is 3-METHYLHEPTANE?

Chemical properties

Colorless liquid.

Physical properties

Colorless, flammable liquid with an odor resembling hexane. An odor threshold concentration of 1.5 ppm_v was reported by Nagata and Takeuchi (1990).

The Uses of 3-METHYLHEPTANE

Calibration, organic synthesis.

Definition

ChEBI: 3-Methylheptane is an alkane.

Hazard

Flammable, dangerous fire risk.

Environmental Fate

Photolytic. Based on a photooxidation rate constant of 8.90 x 10^-12 cm³/molecule?sec for the reaction of 3-methylheptane and OH radicals, the estimated lifetime is 16 h during summer sunlight (Altshuller, 1991).
Chemical/Physical. Complete combustion in air produces carbon dioxide and water vapor. 3- Methylheptane will not hydrolyze because it does not contain a hydrolyzable functional group.

Solubility in organics

In methanol, g/L: 154 at 5 °C, 170 at 10 °C, 190 at 15 °C, 212 at 20 °C, 242 at 25 °C, 274 at 30 °C, 314 at 35 °C, 365 at 40 °C (Kiser et al., 1961); miscible in many liquid hydrocarbons, particularly saturated hydrocarbons.

Properties of 3-METHYLHEPTANE

Melting point:	-121--120°C
Boiling point:	118 °C(lit.)
Density	0.705 g/mL at 25 °C(lit.)
vapor pressure	0.73 psi ( 37.7 °C)
refractive index	n20/D 1.398(lit.)
Flash point:	45 °F
form	clear liquid
color	Colorless to Almost colorless
Odor Threshold	0.027ppm
Water Solubility	792 μg/kg at 25 °C (shake flask-GLC, Price, 1976)
BRN	1730777
Henry's Law Constant	3.70 atm?m³/molat 25 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limits	ACGIH: TWA 300 ppm
CAS DataBase Reference	589-81-1(CAS DataBase Reference)
EPA Substance Registry System	3-Methylheptane (589-81-1)

Safety information for 3-METHYLHEPTANE

Signal word	Danger
Pictogram(s)	Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 Environment GHS09
GHS Hazard Statements	H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H410:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233:Keep container tightly closed. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.