CAS 591-76-4|isoheptane

Introduction：Basic information about CAS 591-76-4|isoheptane, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Synonyms

Common Name	isoheptane
CAS Number	591-76-4	Molecular Weight	100.202
Density	0.7±0.1 g/cm3	Boiling Point	90.0±3.0 °C at 760 mmHg
Molecular Formula	C₇H₁₆	Melting Point	-118ºC
MSDS	/	Flash Point	-3.9±0.0 °C

Names

Name	2-Methylhexane
Synonym	More Synonyms

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
InChIKey	GXDHCNNESPLIKD-UHFFFAOYSA-N
SMILES	CCCCC(C)C
Storage condition	Flammables area

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

Synonyms

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

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