3-Hydroxynonyl acetate

Base Information

• Chemical Name: 3-Hydroxynonyl acetate
• CAS No.: 1322-17-4
• Molecular Formula: C11H22O3
• Molecular Weight: 202.2906
• European Community (EC) Number: 215-332-3
• NSC Number: 33721
• DSSTox Substance ID: DTXSID00274209
• Metabolomics Workbench ID: 45530
• ChEMBL ID: CHEMBL3183178
• Mol file: 1322-17-4.mol

Synonyms:3-Hydroxynonyl acetate;1,3-Nonanediol acetate;1322-17-4;1,3-Nonanediol monoacetate;1,3-Nonanediol, monoacetate;Nonane diacetate;Octyl crotonyl acetate;Nonane-1,3-diol monoacetate;FEMA No. 2783;NSC33721;EINECS 215-332-3;DSSTox_CID_27657;DSSTox_RID_82481;DSSTox_GSID_47657;CC(OCCC(O)CCCCCC)=O;SCHEMBL1171375;CHEMBL3183178;DTXSID00274209;CHEBI:149579;Tox21_302555;LMFA07010753;NSC-33721;AKOS015903699;Diasmol;Jasmonyl;NCGC00256781-01;CAS-1322-17-4;FT-0633519

Chemical Property of 3-Hydroxynonyl acetate

Chemical Property:

• Appearance/Colour: colourless to pale yellow clear liquid
• Vapor Pressure: 0.00362mmHg at 25°C
• Refractive Index: n20/D 1.446(lit.)
• Boiling Point: 249.6 °C at 760 mmHg
• Flash Point: 88.9 °C
• PSA: 46.53000
• Density: 0.956 g/cm³
• LogP: 2.27090
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 202.15689456
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

99%, ^*data from raw suppliers

1,3-NONANEDIOL MONOACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCC(CCOC(=O)C)O
• Description: 1,3-Nonanediol acetate (mixed esters) has an intense floral odor reminiscent of jasmine. The commercial product is a mixture of the two possible isomers; the starting material is usually 1-octene.