1-undecene

1-undecene
Compound Structure:
Synonyms: 1-UNDECENE;821-95-4;Undec-1-ene;n-1-Undecene;1-Hendecene;Undecene;alpha-Undecene;alpha-Undecylene;alpha-Nonylethylene;Undecene-1;Hendecene
Compound ID: NMPC-134
PubChem ID:

13190

Molecular Formula: C11H22
Canonical SMILES: CCCCCCCCCC=C
InChIKey: DCTOHCCUXLBQMS-UHFFFAOYSA-N
About the compound:

1-Undecene is a colorless liquid with a mild odor. It is less dense than water and insoluble in water, causing it to float on the water's surface. This compound is classified as an alkene, specifically an undecene, as it is undecane with one double bond located at position 1. 1-Undecene also serves as a plant metabolite and occurs naturally in various organisms, including Tussilago farfara and Aristolochia gigantea.

GHS Hazard Statements

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]


Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

154.29 g/mol

XLogP3

6.2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

8

Exact Mass

154.172150702 g/mol

Monoisotopic Mass

154.172150702 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

11

Formal Charge

0

Complexity

74.1

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

Physical Description

1-undecene appears as a colorless liquid with a mild odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)

 

Boiling Point

378.9 °F at 760 mmHg (USCG, 1999)

Melting Point

-56 °F (USCG, 1999)

 

Density

Sol in ether, chloroform, ligroin; insol in water

Vapor Pressure

0.49 [mmHg]

Source: PubChem

Source Species: Hippocratea indica
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