(-)-Bornyl acetate

(-)-Bornyl acetate
Compound Structure:
Synonyms: (-)-Bornyl acetate;(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate; (1R,2S,4R)-REL-1,7,7-Trimethylbicyclo(2.2.1)Heptan-2-Ol 2-Acetate.
Compound ID: NMPC-008
PubChem ID:

93009
Molecular Formula: C12H20O2
Canonical SMILES: CC(=O)OC1CC2CCC1(C2(C)C)C
InChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-N
About the compound:

Bornyl acetate is an ester formed from borneol and acetic acid. It's a monoterpene derivative with a bicyclic structure. The "(-)-" notation refers to its specific optical rotation, indicating it's a particular enantiomer (or stereoisomer) of bornyl acetate.  Bornyl acetate is a naturally occurring compound found in many essential oils, including those derived from pine, spruce, and fir trees. It contributes to the characteristic "piney" or "woody" aroma of these oils. Due to its characteristic scent, bornyl acetate is used in perfumery and aromatherapy products. It's also utilized in the flavoring industry, albeit in smaller quantities, to impart a woody or piney flavor. In aromatherapy, essential oils containing bornyl acetate might be used for their potential calming and soothing properties. In some traditional medicine systems, oils rich in bornyl acetate might be used for their perceived therapeutic properties, such as anti-inflammatory or analgesic effects

Safety and Hazard

GHS Hazard Statements        

Not Classified

Reported as not meeting GHS hazard criteria by 1557 of 1557 companies. For more detailed information, please visit ECHA C&L website.
Properties:

Chemical and Physical Properties

 

Property Name

Property Value

Molecular Weight

196.29 g/mol

XLogP3

3.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

2

Rotatable Bond Count

2

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

270

Isotope Atom Count

0

Defined Atom Stereocenter Count

3

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Physical appearance

Solid; mp = 24 or 27 deg C; [Merck Index] Colorless or white clear liquid or crystals with a sweet, woody, fresh pine needle odor; mp = 27-29 deg C; [Good Scents MSDS]

Density

0.981-0.987

Solubility 

Practically insoluble to insoluble in water

Vapor Pressure

0.6 [mmHg]

Source: PubChem
Source Species: Greenwayodendron suaveolens
Eucalyptus tereticornis
Hyparrhenia rufa
Tagetes erecta
Taxodium distichum
Eucalyptus torelliana
Callitris columellaris
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