1-Ethylhexyl tiglate

Base Information

• Chemical Name: 1-Ethylhexyl tiglate
• CAS No.: 94133-92-3
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.33
• European Community (EC) Number: 302-757-5
• UNII: 8V8567YK6H
• DSSTox Substance ID: DTXSID30916382
• Nikkaji Number: J368.194G
• Wikidata: Q27271077
• Mol file: 94133-92-3.mol

Synonyms:1-Ethylhexyl tiglate;3-Octyl tiglate;94133-92-3;3-Octyl 2-methylcrotonate;FEMA No. 3676;1-Ethylhexyl 2-methylcrotonate;3-Octyl trans-2-methyl-2-butenoate;octan-3-yl (E)-2-methylbut-2-enoate;1-Ethylhexyl 2-methyl-2-butenoate, (E)-;EINECS 302-757-5;UNII-8V8567YK6H;8V8567YK6H;2-Butenoic acid, 2-methyl-, 1-ethylhexyl ester, (E)-;2-Butenoic acid, 2-methyl-, 1-ethylhexyl ester, (2E)-;Octan-3-yl 2-methylbut-2-enoate;(E)-2-Methyl-2-butenoic acid 1-ethylhexyl ester;SCHEMBL1848650;SCHEMBL1848651;DTXSID30916382;CHEBI:171797;1-ETHYLHEXYL TIGLATE [FHFI];1-Ethylhexyl tiglate, >=95%, FG;(+/-)-1-ETHYLHEXYL TIGLATE;(E)-octan-3-yl 2-methylbut-2-enoate;LS-180662;OCTAN-3-YL (2E)-2-METHYLBUT-2-ENOATE;Q27271077

Chemical Property of 1-Ethylhexyl tiglate

Chemical Property:

• Vapor Pressure: 0.00801mmHg at 25°C
• Refractive Index: n20/D 1.444(lit.)
• Boiling Point: 267.7oC at 760 mmHg
• Flash Point: 210 °F
• PSA: 26.30000
• Density: 0.882 g/mL at 25oC(lit.)
• LogP: 3.85470
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

1-Ethylhexyl tiglate ≥95%, FG ^*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: CCCCCC(CC)OC(=O)C(=CC)C
• Isomeric SMILES: CCCCCC(CC)OC(=O)/C(=C/C)/C