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2-Methylhexane

2-Methylhexane structure

CAS No:
591-76-4
Formula:
C7H16
Chemical Name:
2-Methylhexane
Synonyms:
Hexane,2-methyl-;2-Methylhexane;NSC 24840
Categories:
Organic Chemistry > Coordination Complexes

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Description

clear colorless liquid

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

Seven-carbon alkanes with the formula C7H16.

2-Methylhexane Basic Attributes

Molecular Weight：

100.2

Exact Mass：

100.20

EC Number：

209-730-6

UNII：

YI4679P2SP

ICSC Number：

0658

NSC Number：

24840

UN Number：

1206

DSSTox ID：

DTXSID5052256

HScode：

29011000

Characteristics

PSA：

XLogP3：

4.29

Appearance：

Clear colorless Liquid

Density：

0.68 g/cm³

Melting Point：

-118 °C

Boiling Point：

90 °C

Flash Point：

25 °F

Refractive Index：

1.392

Water Solubility：

Solubility in water: none

Storage Conditions：

Flammables area

Vapor Pressure：

2.27 psi ( 37.7 °C)

Vapor Density：

Relative vapour density (air = 1): 3.4

Explosive limit：

~7%

Autoignition Temperature：

220 °C

Physical Dangers：

The vapour is heavier than air and may travel along the ground; distant ignition possible. As a result of flow, agitation, etc., electrostatic charges can be generated.

Safety Information

Packing level：

Hazard category：

3.1

Transport codes：

UN 3295 3/PG 2

wgk germany：

hazard class code：

11-38-50/53-65-67

safety instructions：

9-16-29-33-60-61-62

RTECS Number：

MO3871500

Marks：

F,Xn,N

Storage features：

Fireproof. Separated from strong oxidants.

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, P501

Hazard Statements：

H225

Fire Hazards：

Highly flammable. Vapour/air mixtures are explosive.

GHS Classification：

|Danger|H225 (54.21%): Highly Flammable liquid and vapor [Danger Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P273, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P312, P321, P331, P332+P313, P362, P370+P378, P391, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 190 companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225 (84.47%): Highly Flammable liquid and vapor [Danger Flammable liquids]|Aggregated GHS information provided by 103 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

Fire Fighting：

NO water. Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Explosive Limits and Potential：

Explosive limits , vol% in air: 1.0-6.0

Spillage Disposal：

Remove all ignition sources. Evacuate danger area! Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer.

Safe Storage：

Fireproof. Separated from strong oxidants.

Inhalation Risk：

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.

Effects of Short Term Exposure：

If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The substance may cause effects on the central nervous system at high levels.

Effects of Long Term Exposure：

The substance defats the skin, which may cause dryness or cracking.

Fire Prevention：

NO open flames, NO sparks and NO smoking. Closed system, ventilation, explosion-proof electrical equipment and lighting. Prevent build-up of electrostatic charges (e.g., by grounding). Do NOT use compressed air for filling, discharging, or handling.

Inhalation Prevention：

Use ventilation, local exhaust or breathing protection.

Skin Prevention：

Protective gloves.

Eye Prevention：

Wear safety spectacles.

Drug Information

Biological Half-Life：

3.00 Days

First Aid：

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

MeSH Entry Terms：

Heptane

Exposure Routes：

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

Symptoms：

Headache. Nausea. Vomiting. Dizziness.

Dry skin.

2-Methylhexane Use and Manufacturing

Uses

Organic synthesis.

Manufacturing Info：

Isoheptane: ACTIVE|Hexane, 2-methyl-: ACTIVE

Computed Properties

Molecular Weight:100.20
XLogP3:3.7
Rotatable Bond Count:3
Exact Mass:100.125200510
Monoisotopic Mass:100.125200510
Heavy Atom Count:7
Complexity:29
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 591-76-4

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2-Methylhexane

CAS No.: 591-76-4

Grade: Industrial Grade

Content: 99%

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