3-Methylbutyl 1-hydroxycyclohexaneacetate

Base Information

• Chemical Name: 3-Methylbutyl 1-hydroxycyclohexaneacetate
• CAS No.: 6946-66-3
• Molecular Formula: C13H24 O3
• Molecular Weight: 228.32786
• European Community (EC) Number: 230-109-0
• NSC Number: 57348
• UNII: 7XVJ7M46AV
• DSSTox Substance ID: DTXSID50219625
• Nikkaji Number: J265.981F
• Wikidata: Q83096587
• Mol file: 6946-66-3.mol

Synonyms:3-Methylbutyl 1-hydroxycyclohexaneacetate;6946-66-3;7XVJ7M46AV;EINECS 230-109-0;NSC-57348;Cyclohexaneacetic acid, 1-hydroxy-, 3-methylbutyl ester;UNII-7XVJ7M46AV;DTXSID50219625;NSC57348;NSC 57348;1-Hydroxycyclohexaneacetic acid 3-methylbutyl ester

Chemical Property of 3-Methylbutyl 1-hydroxycyclohexaneacetate

Chemical Property:

• Vapor Pressure: 6.06E-05mmHg at 25°C
• Boiling Point: 308.8°C at 760 mmHg
• Flash Point: 118.7°C
• PSA: 46.53000
• Density: 1.011g/cm³
• LogP: 2.66100
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 228.17254462
• Heavy Atom Count: 16
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)CC1(CCCCC1)O

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