isoheptane

Modify Date: 2026-07-01 21:54:58

isoheptane Structure
isoheptane structure
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 N/A Flash Point -3.9±0.0 °C

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name 2-Methylhexane
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

 isoheptane | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What are the storage conditions for 2-Methylhexane?
A: Storage conditions for 2-Methylhexane: Flammables area.
Q: What is the molecular weight of 2-Methylhexane?
A: Molecular weight of 2-Methylhexane is 100.202.
Q: What is the molecular formula of 2-Methylhexane?
A: Molecular formula of 2-Methylhexane is C7H16.
Q: What is the English name of 2-Methylhexane?
A: The English name of 2-Methylhexane is 2-Methylhexane.
Q: What is the boiling point of 2-Methylhexane?
A: Boiling point of 2-Methylhexane is 90.0±3.0 °C at 760 mmHg.
Q: What is the melting point of 2-Methylhexane?
A: Melting point of 2-Methylhexane is -118ºC.
Q: What is the LogP of 2-Methylhexane?
A: LogP of 2-Methylhexane is 4.29.
Q: What is the CAS number of 2-Methylhexane?
A: CAS number of 2-Methylhexane is 591-76-4.
Q: What English synonyms does 2-Methylhexane have?
A: English synonyms of 2-Methylhexane: iso-heptane, Aethylisoamyl, EINECS 209-730-6, 2-methyl-hexane, Methylhexane, hexane,2-methyl, 2-Methylhexane, isoheptane, dimethyl-pentane, d726, 2-methyl-hexan, MFCD00009487, ethylisobutylmethane.
Q: What is the safety information for 2-Methylhexane?
A: Safety information for 2-Methylhexane: S9;S16;S29;S33;S62.

 isoheptanefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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