isoheptane

Suppliers

Names

[ CAS No. ]:
591-76-4

[ Name ]:
isoheptane

[Synonym ]:
iso-heptane
Aethylisoamyl
EINECS 209-730-6
2-methyl-hexane
Methylhexane
hexane,2-methyl
2-Methylhexane
isoheptane
dimethyl-pentane
d726
2-methyl-hexan
MFCD00009487
Hexane, 2-methyl-
ethylisobutylmethane

Chemical & Physical Properties

[ Density]:
0.7±0.1 g/cm3

[ Boiling Point ]:
90.0±3.0 °C at 760 mmHg

[ Melting Point ]:
-118ºC

[ Molecular Formula ]:
C7H16

[ Molecular Weight ]:
100.202

[ Flash Point ]:
-3.9±0.0 °C

[ Exact Mass ]:
100.125198

[ LogP ]:
4.29

[ Vapour Pressure ]:
64.7±0.1 mmHg at 25°C

[ Index of Refraction ]:
1.392

[ Storage condition ]:
Flammables area

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO3871500
CHEMICAL NAME :
Hexane, 2-methyl-
CAS REGISTRY NUMBER :
591-76-4
LAST UPDATED :
199806
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C7-H16
MOLECULAR WEIGHT :
100.23

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
19500 ppm/4H
TOXIC EFFECTS :
Behavioral - tremor Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534860 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg/4W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Related to Chronic Data - death
REFERENCE :
TIHEEC Toxicology and Industrial Health. (Princeton Scientific Pub. Co., POB 2155, Princeton, NJ 08540) V.1- 1985- Volume(issue)/page/year: 1(3),67,1985

Safety Information

[ Hazard Codes ]:
F,Xn,N

[ Risk Phrases ]:
R11;R38;R50/53;R65;

[ Safety Phrases ]:
S9;S16;S29;S33;S62

[ RIDADR ]:
UN 3295 3/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
MO3871500

[ Packaging Group ]:
II

[ Hazard Class ]:
3.1

Synthetic Route

Precursor & DownStream

Precursor

  • Butane, 1-cyclopropyl-
  • Heptane
  • 2-Hexene, 2-methyl-
  • Methanol
  • isohexane
  • 2-methyl cyclohexane
  • 3-Hexanol, 2-methyl-
  • 3-Hexanol, 5-methyl-
  • Hept-1-ene
  • propene

DownStream

  • 2,4-dimethylpentane
  • 2,3-Dimethylpentane
  • 3-Methylhexane
  • 2,2,3-trimethylbutane
  • Cumene
  • n-propylbenzene
  • propene
  • methane
  • Isobutane Residual Solvent Standard
  • isohexane

Related Compounds

  • isoheptane