Citronellyl tiglate

Base Information

• Chemical Name: Citronellyl tiglate
• CAS No.: 24717-85-9
• Molecular Formula: C15H26O2
• Molecular Weight: 238.37
• Hs Code.: 2916190090
• European Community (EC) Number: 246-426-2
• UNII: W3KE673ROS
• DSSTox Substance ID: DTXSID3051911
• Nikkaji Number: J107.440G
• Wikidata: Q27292256
• Metabolomics Workbench ID: 45329
• Mol file: 24717-85-9.mol

Synonyms:Citronellyl tiglate;24717-85-9;Citronellyl trans-2-methyl-2-butenoate;UNII-W3KE673ROS;W3KE673ROS;3,7-Dimethyl-6-octenyl 2-methylcrotonate;2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octen-1-yl ester, (2E)-;EINECS 246-426-2;Citronellyl 2-methylbut-2-enoate, (2E)-;3,7-dimethyloct-6-en-1-yl (2E)-2-methylbut-2-enoate;Citronellyltiglate;E-Citronellyl tiglate;Citronellol tiglate;2-Butenoic acid, 2-methyl-, 3,7-dimethyl-6-octenyl ester, (E)-;3,7-dimethyloct-6-en-1-yl 2-methylbut-2-enoate;DTXSID3047556;(E)-citronellyl tiglate;3,7 - dimethyl - 6 - octenyl 2 - methylcrotonate;3,7-dimethyloct-6-enyl (E)-2-methylbut-2-enoate;SCHEMBL873826;DTXCID1027556;DTXSID3051911;FEMA NO. 4295;SCHEMBL16356747;Tox21_302553;LMFA07010821;AKOS025294991;(2E)-citronellyl 2-methylbut-2-enoate;NCGC00256743-01;CAS-255714-11-5;(E)-3,7-dimethyloct-6-enyl 2-methylbut-2-enoate;3,7-Dimethyl-6-octenyl (2Z)-2-methyl-2-butenoate;W-107286;(+/-)-CITRONELLYL TRANS-2-METHYL-2-BUTENOATE;CITRONELLYL TRANS-2-METHYL-2-BUTENOATE [FHFI];Q27292256;CITRONELLYL TRANS-2-METHYL-2-BUTENOATE, (+/-)-

Chemical Property of Citronellyl tiglate

Chemical Property:

• Vapor Pressure: 0.000495mmHg at 25°C
• Refractive Index: n20/D 1.465(lit.)
• Boiling Point: 313.5 °C at 760 mmHg
• Flash Point: 143.2 °C
• PSA: 26.30000
• Density: 0.893 g/cm³
• LogP: 4.26840
• Water Solubility.: 385μg/L at 20℃
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 238.193280068
• Heavy Atom Count: 17
• Complexity: 283

Purity/Quality:

99.9% ^*data from raw suppliers

CITRONELLYL TIGLATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C)C(=O)OCCC(C)CCC=C(C)C
• Isomeric SMILES: C/C=C(\C)/C(=O)OCCC(C)CCC=C(C)C

Technology Process of Citronellyl tiglate

There total 1 articles about Citronellyl tiglate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

(E)-2-methylbut-2-enoyl chloride (35660-94-7) + (3R)-citronellol (1117-61-9) → citronellyl tiglate (24717-85-9,84254-89-7,94086-63-2)

Guidance literature:

With pyridine; benzene; d-citronellyl tigliate;

upstream raw materials:

(E)-2-methylbut-2-enoyl chloride

(3R)-citronellol