CAS 141-16-2 | Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester | CAS Number 141-16-2

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 141-16-2

141-16-2 | Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester

CAS No: 141-16-2 Catalog No: AG001FPT MDL No:

Product Description

Catalog Number:

AG001FPT

Chemical Name:

Butanoic acid, 3,7-dimethyl-6-octen-1-yl ester

CAS Number:

141-16-2

Molecular Formula:

C14H26O2

Molecular Weight:

226.3550

IUPAC Name:

3,7-dimethyloct-6-enyl butanoate

InChI:

InChI=1S/C14H26O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,13H,5-7,9-11H2,1-4H3

InChI Key:

XQPZQXTWYZAXAK-UHFFFAOYSA-N

SMILES:

CCCC(=O)OCCC(CCC=C(C)C)C

NSC Number:

46147

FEMA Number:

2312

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

226.193g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

226.36g/mol

Monoisotopic Mass:

226.193g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
Poisson parameters of antimicrobial activity: a quantitative structure-activity approach.	International journal of molecular sciences 20120101
Improved activity and stability of Rhizopus oryzae lipase via immobilization for citronellol ester synthesis in supercritical carbon dioxide.	Journal of biotechnology 20111020
Enantioselective transacetylation of (R,S)-beta-citronellol by propanol rinsed immobilized Rhizomucor miehei lipase.	Chemistry Central journal 20070101
Water soluble fractions of rose-scented geranium (Pelargonium species) essential oil.	Bioresource technology 20020901