isobornyl acetate

Compound Structure:

Synonyms:

[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate; Isobornyl acetate; Pichtosin; exo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl acetate; 2-Camphanyl acetate; Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2R,4R)-rel-; (1S)-2-exo-aceto

Compound ID:

NMPC-1148

PubChem ID:

6950273

Molecular Formula:

C12H20O2

Canonical SMILES:

CC(=O)OC1CC2CCC1(C2(C)C)C

InChIKey:

KGEKLUUHTZCSIP-JBLDHEPKSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 1839 of 1869 companies (only ~ 1.6% companies provided GHS information). 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	26.3Å²
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 Description	Dry Powder, Liquid; Liquid; Liquid, Other Solid; Other Solid
Boiling Point	220-224 °C
Density	0.978 at °C
Solubility	Soluble in most fixed oils; Slightly soluble in propylene glycol; Insoluble in water, glycerin

Source: PubChem

Source Species:

Boswellia dalzielii

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