3-Ethylhexane

3-Ethylhexane
Compound Structure:
Synonyms: 3-ETHYLHEXANE;619-99-8;Hexane, 3-ethyl-;8JH9HL7N4H;NSC-74175;1,1-diethylbutane;3-ethyl-hexane;NSC74175;EINECS 210-621-0;NSC 74175;UNII-8JH9HL7N4H;DTXSID6060713
Compound ID: NMPC-353
PubChem ID:

12096
Molecular Formula: C8H18
Canonical SMILES: CCCC(CC)CC
InChIKey: SFRKSDZMZHIISH-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

• H304: May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H315: Causes skin irritation [Warning Skin corrosion/irritation]

• H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]

• H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

• H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

114.23 g/mol

XLogP3-AA

4.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

4

Exact Mass              

114.140850574 g/mol

Monoisotopic Mass

114.140850574 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

8

Formal Charge

0

Complexity

35.3

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Schumanniophyton magnificum
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