4-Ethyl-1,2-dimethylbenzene

4-Ethyl-1,2-dimethylbenzene
Compound Structure:
Synonyms: 4-ETHYL-1,2-DIMETHYLBENZENE;4-Ethyl-o-xylene;934-80-5;1,2-Dimethyl-4-ethylbenzene;2-Methyl-p-ethyltoluene;o-Xylene, 4-ethyl-;Benzene, 4-ethyl-1,2-dimethyl-;1-ethyl-3,4-dimethylbenzene;3,4-Dimethyl-1-ethylbenzene
Compound ID: NMPC-422
PubChem ID:

13629
Molecular Formula: C10H14
Canonical SMILES: CCC1=CC(=C(C=C1)C)C
InChIKey: SBUYFICWQNHBCM-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

• H226 (32.31%): Flammable liquid and vapor [Warning Flammable liquids]

• H302 (58.46%): Harmful if swallowed [Warning Acute toxicity, oral]

• H304 (30.77%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

• H315 (30.77%): Causes skin irritation [Warning Skin corrosion/irritation]

• H318 (58.46%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

• H319 (30.77%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (61.54%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H372 (61.54%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

134.22 g/mol

XLogP3-AA

3.4

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

1

Exact Mass

134.109550447 g/mol

Monoisotopic Mass

134.109550447 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

10

Formal Charge

0

Complexity

96.2

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: Carica papaya (C. papaya)
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