Isobornyl butyrate

Catalog	ACM58479553
CAS	58479-55-3
Structure
Synonyms	exo-bornyl butyrate;Butanoic acid, (1R,2R,4R)-1,7,7-trimethylbicyclo2.2.1hept-2-yl ester, rel-;[(4R)-1,7,7-Trimethyl-5-bicyclo[2.2.1]heptanyl] butanoate;Isobornyl butyrate;Butyric acid isobornyl ester
IUPAC Name	[(1S,2S,4S)-1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl] butanoate
Molecular Weight	224.34
Molecular Formula	C14H24O2
Canonical SMILES	CCCC(=O)OC1CC2CCC1(C2(C)C)C
InChI	InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3/t10-,11-,14+/m0/s1
InChI Key	VIPNQHBVIDJXJE-COPLHBTASA-N
Purity	95%+
Density	0.98g/cm³
Exact Mass	224.177630004
Isomeric SMILES	CCCC(=O)O[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C
Monoisotopic Mass	224.177630004
Topological Polar Surface Area	26.3 Ų