Oxirane, tetradecyl-

Oxirane, tetradecyl-
Compound Structure:
Synonyms: 2-Tetradecyloxirane; Tetradecyloxirane, Oxirane, tetradecyl-; Hexadecene epoxide, Hexadecylene oxide, Hexadecane, 1,2-epoxy-, 1,2-Hexadecane oxide, 1,2-Hexadecene epoxide, Oxirane, 2-tetradecyl-, 1-hexadecene oxide, 1,2-Hexadecylene Oxide, epoxyhexadecane
Compound ID: NMPC-1369
PubChem ID:

23741
Molecular Formula: C16H32O
Canonical SMILES: CCCCCCCCCCCCCCC1CO1
InChIKey: DSZTYVZOIUIIGA-UHFFFAOYSA-N
About the compound:

GHS Hazard Statements

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

• H317 (89.27%): May cause an allergic skin reaction [Warning Sensitization, Skin]

• H319 (97.77%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

• H335 (15.99%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

• H351 (89.88%): Suspected of causing cancer [Warning Carcinogenicity]

First Aid

In case of exposure:

EYES: Remove contact lenses if present, then flush eyes with water or saline for 20-30 minutes. Seek medical help immediately and do not apply any ointments or medication without doctor's instructions.

SKIN: Wash affected skin with water and soap, remove contaminated clothing, and seek medical attention if redness or irritation occurs.

INHALATION: Leave contaminated area, breathe fresh air, and seek medical help if symptoms like wheezing or shortness of breath arise. Provide proper respiratory protection to rescuers.

INGESTION: Do not induce vomiting. If conscious and not convulsing, give water and call for medical help. If unconscious or convulsing, maintain airway and transport to hospital without inducing vomiting (NTP, 1992).

National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

240.42 g/mol

XLogP3

7.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

13

Exact Mass

240.245315640 g/mol

Monoisotopic Mass

240.245315640 g/mol

Topological Polar Surface Area

12.5Ų

Heavy Atom Count

17

Formal Charge

0

Complexity

156

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

1,2-epoxyhexadecane appears as white waxy solid or clear colorless liquid. Faint pleasant odor. (NTP, 1992)

Boiling Point

518 to 527 °F at 760 mmHg (NTP, 1992)

Melting Point

77 to 81 °F (NTP, 1992)

Density

0.849 at 68 °F (NTP, 1992) - Less dense than water; will float

Source: PubChem            
Source Species: Plumbago zeylanica
Vernonia amygdalina
Pentaclethra macrophylla
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