1-Penten-3-ol

1-Penten-3-ol
Compound Structure:
Synonyms: 1-PENTEN-3-OL;pent-1-en-3-ol;Ethyl vinyl carbinol;1-Ethylallyl alcohol;Vinyl ethyl carbinol;1-Pentene-3-ol;alpha-Ethylallyl alcohol;(+/-)-1-Penten-3-ol;1-penten-3-ol (E);.alpha.-Ethylallyl alcohol
Compound ID: NMPC-117
PubChem ID:

12020
Molecular Formula: C5H10O
Canonical SMILES: CCC(C=C)O
InChIKey: VHVMXWZXFBOANQ-UHFFFAOYSA-N
About the compound:

1-Penten-3-ol is a type of alcohol. It is naturally occurring and can be found in various organisms, including Cichorium endivia and Zingiber mioga.

GHS Hazard Statements

• H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

86.13 g/mol

XLogP3-AA

1.1

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

2

Exact Mass

86.073164938 g/mol

Monoisotopic Mass

86.073164938 g/mol

Topological Polar Surface Area

20.2Ų

Heavy Atom Count

6

Formal Charge

0

Complexity

41.2

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Colourless, mobile liquid; powerful, grassy-green odour

Boiling Point

114.00 °C. @ 760.00 mm Hg

Solubility 

90.1 mg/mL at 25 °C

Vapor Pressure

9.68 [mmHg]

Source: PubChem
Source Species: Terminalia superba
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