3-METHYLHEPTANE

3-METHYLHEPTANE Basic information
Product Name:3-METHYLHEPTANE
Synonyms:3-METHYLHEPTANE;3-methyl-heptan;heptane,3-methyl-;Methylheptane,97%;3-Methylheptane,95%;BUTYLETHYLMETHYLMETHANE;2-ETHYLHEXANE;3-METHYLHEPTANE REFERENCE SUBSTANCE FOR
CAS:589-81-1
MF:C8H18
MW:114.23
EINECS:209-660-6
Product Categories:Aliphatics;Acyclic;Alkanes;Organic Building Blocks
Mol File:589-81-1.mol
3-METHYLHEPTANE Structure
3-METHYLHEPTANE Chemical Properties
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.)
Fp 45 °F
form clear liquid
color Colorless to Almost colorless
Odor Threshold0.027ppm
Water Solubility 792 μg/kg at 25 °C (shake flask-GLC, Price, 1976)
BRN 1730777
Henry's Law Constant3.70 atm?m3/molat 25 °C (approximate - calculated from water solubility and vapor pressure)
Exposure limitsACGIH: TWA 300 ppm
LogP4.627 (est)
CAS DataBase Reference589-81-1(CAS DataBase Reference)
EPA Substance Registry System3-Methylheptane (589-81-1)
Safety Information
Hazard Codes F,Xn,N,Xi
Risk Statements 11-38-50/53-65-67
Safety Statements 9-16-29-33-60-61-62
RIDADR UN 1262 3/PG 2
WGK Germany 3
Hazard Note Irritant/Highly Flammable
TSCA Yes
HazardClass 3
PackingGroup II
HS Code 2901100000
MSDS Information
ProviderLanguage
SigmaAldrich English
ALFA English
3-METHYLHEPTANE Usage And Synthesis
Chemical PropertiesColorless liquid.
Physical propertiesColorless, flammable liquid with an odor resembling hexane. An odor threshold concentration of 1.5 ppmv was reported by Nagata and Takeuchi (1990).
UsesCalibration, organic synthesis.
DefinitionChEBI: 3-Methylheptane is an alkane.
HazardFlammable, dangerous fire risk.
Environmental fatePhotolytic. 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 organicsIn 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.
3-METHYLHEPTANE Preparation Products And Raw materials
Preparation ProductsN-NONANE-->2,4-DIMETHYLPENTANE-->2-METHYLHEPTANE
2-Ethylhexyl chloroformate (-)-TRANS-MYRTANOL 2-Ethylhexanoyl chloride ALPHA-(-)-THUJONE (-)-MYRTENOL (1R)-(+)-ALPHA-PINENE METHYL O-METHYLPODOCARPATE (-)-CIS-MYRTANYLAMINE ALPHA-PINENE D-(+)-Camphoric acid PERHYDROFLUORENE 2-Ethylhexyl bromide AURORA KA-477 PINONIC ACID 2-CARENE cis-VERBENOL DL-ISOPINOCAMPHEOL (-)-VERBENONE

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