3-(Methylthio)hexyl acetate

Base Information

• Chemical Name: 3-(Methylthio)hexyl acetate
• CAS No.: 51755-85-2
• Molecular Formula: C9H18O2S
• Molecular Weight: 190.30
• European Community (EC) Number: 610-722-3
• UNII: 0GEW9KKA0D
• DSSTox Substance ID: DTXSID30866217
• Nikkaji Number: J608.416H
• Wikidata: Q27236755
• Metabolomics Workbench ID: 45516
• Mol file: 51755-85-2.mol

Synonyms:3-(Methylthio)hexyl acetate;51755-85-2;3-methylsulfanylhexyl acetate;3-(Methylsulfanyl)hexyl acetate;3-(Methylthio)-1-hexyl acetate;1-Hexanol, 3-(methylthio)-, acetate;FEMA No. 3789;(S)-3-Methylthiohexyl acetate;Fema3789;3-Methylthiohexyl acetate;UNII-0GEW9KKA0D;0GEW9KKA0D;3-methylthio-1-hexyl acetate;3-methylthiohexylacetat;lychee mercaptan acetate;starbld0009591;3-methylsulanylhexyl acetate;SCHEMBL111396;DTXSID30866217;CHEBI:169213;3-(Methylsulfanyl)hexyl acetate #;acetic acid 3-(methylthio)hexyl ester;AKOS015897592;1-hexanol, 3-(metiltio)-, 1-acetato;1-Hexanol, 3-(methylthio)-, 1-acetate;AS-59085;1-Hexanol 3-(methylthio)-acetate (9CI);3-(Methylthio)hexyl acetate, >=97%, FG;(+/-)-3-(METHYLTHIO)HEXYL ACETATE;3-(METHYLTHIO) HEXYL ACETATE [FHFI];CS-0359622;FT-0652543;3-(METHYLTHIO)HEXYL ACETATE, (+/-)-;A828757;J-640448;J-800462;Q27236755

Chemical Property of 3-(Methylthio)hexyl acetate

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Refractive Index: 1.4640
• Boiling Point: 256.9 °C at 760 mmHg
• Flash Point: 106.8 °C
• PSA: 51.60000
• Density: 0.976 g/cm³
• LogP: 2.47130
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 190.10275099
• Heavy Atom Count: 12
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

3-(Methylthio)hexyl acetate ≥97%, FG ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCOC(=O)C)SC