Isobornyl butyrate

CAS
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CAS
58479-55-3
Size
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Purity
95%+
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Catalog Number

ACM58479553

Product Name

Isobornyl butyrate

Structure

CAS

58479-55-3

Category

Heterocyclic Organic Compound

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

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 Å²

MSDS

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COA

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Spec Sheet

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