Geraniol acetate

Geraniol acetate
Compound Structure:
Synonyms: (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate; Geraniol acetate; Geranyl ethanoate; Acetic acid, geraniol ester; trans-3,7-Dimethyl-2,6-octadien-1-yl acetate; Geranyl acetate A; beta-Geranyl Acetate; Meraneine; trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate
Compound ID: NMPC-1073
PubChem ID:

1549026

Molecular Formula: C12H20O2
Canonical SMILES: CC(=CCCC(=CCOC(=O)C)C)C
InChIKey: HIGQPQRQIQDZMP-DHZHZOJOSA-N
About the compound:

GHS Hazard Statements

H315 (79.66%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (77.44%): May cause an allergic skin reaction [Warning Sensitization, Skin]

H411 (20.76%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

H412 (77.21%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

First Aid

Begin by examining the affected individual for contact lenses, removing them if found, then rinse their eyes with water or saline for 20-30 minutes. During this, seek medical advice and avoid applying any substances to the eyes without a doctor's directive. Ensure the person receives medical attention promptly, irrespective of visible symptoms.

If skin contact occurs, immediately rinse the area with water, remove any contaminated clothing, and cleanse the skin with soap. Should any irritation manifest, contact a medical professional without delay and arrange for hospital transport.

For inhalation exposure, the individual should leave the contaminated vicinity immediately to breathe clean air. If any respiratory symptoms appear, medical assistance should be sought immediately, and the person prepared for hospital transport. Rescuers should wear appropriate respiratory protection, prioritizing the use of an SCBA when possible.

In cases of ingestion, do not induce vomiting. If the person is conscious and not having seizures, provide them with water to help dilute the ingested substance and immediately contact a medical facility. If the individual is unconscious or convulsing, ensure they are positioned to keep their airway open but do not administer anything by mouth, and seek immediate medical transport.

These guidelines stress the importance of quick and appropriate actions following exposure to hazardous substances, highlighting the need for immediate medical consultation and intervention for eye, skin, inhalation, and ingestion exposures. (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

196.29 g/mol

XLogP3-AA

3.5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

6

Exact Mass

196.146329876 g/mol

Monoisotopic Mass

196.146329876 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

14

Formal Charge

0

Complexity

233

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical Description

Geranyl acetate is a clear colorless liquid with an odor of lavender. (NTP, 1992)

Boiling Point

Approx. 242 °C with decomposition.

Melting Point

< 25 °C

Density

0.907 at 77 °F (NTP, 1992) - Less dense than water; will float

Solubility 

soluble in alcohol, most fixed oils; slightly soluble in propylene glycol; insoluble in glycerine, water

Source Species: Acanthus montanus
Napoleonaea imperialis
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