Geranyl tiglate

Base Information

• Chemical Name: Geranyl tiglate
• CAS No.: 8000-46-2
• Molecular Formula: C15H24O2
• Molecular Weight: 236.34986
• European Community (EC) Number: 232-078-9,616-774-3,934-787-5
• UNII: CUP7SL28J8
• DSSTox Substance ID: DTXSID9047413,DTXSID8069511
• Nikkaji Number: J15.693K
• Wikidata: Q27275815
• Metabolomics Workbench ID: 45401
• ChEMBL ID: CHEMBL3186926
• Mol file: 8000-46-2.mol

Synonyms:Geranyl tiglate;7785-33-3;Tiglic acid, geraniol ester;Geranium extract;[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate;8000-46-2;2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E)-;tiglic acid geranyl ester;EINECS 232-078-9;UNII-CUP7SL28J8;cis-alpha,beta-Dimethyl acrylic acid, geraniol ester;CUP7SL28J8;(E)-3,7-Dimethyl-2,6-octadienyl 2-methylcrotonate;AI3-36201;DTXSID9047413;(E)-(E)-3,7-Dimethylocta-2,6-dien-1-yl 2-methylbut-2-enoate;trans-3,7-Dimethyl-2,6-octadien-1-yl cis-alpha,beta-dimethyl acrylate;2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester;2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester, (2E)-;2-Butenoic acid, 2-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (E,E,E)-;2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester, (2E)-;61827-81-4;(2E)-3,7-Dimethyl-2,6-octadienyl (2E)-2-methyl-2-butenoate;(2E)-3,7-dimethylocta-2,6-dien-1-yl (2E)-2-methylbut-2-enoate;2,6-OCTADIEN-1-OL, 3,7-DIMETHYL-, 2-METHYL-2-BUTENOATE, (E,E,E)-;2-Butenoic acid, 2-methyl-, (2E)-3,7-dimethyl-2,6-octadienyl ester,(2E)-;2-Butenoic acid, 2(or 3)-methyl-, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester;Gernyl tiglate;Geranyl?Tiglate;(E)-GERANYL TIGLATE;SCHEMBL874195;SCHEMBL874196;GERANYL TIGLATE [FHFI];CHEMBL3186926;DTXCID7027413;DTXSID8069511;FEMA NO. 4044;2-Butenoic acid, 2(or 3)-methyl-, 3,7-dimethyl-2,6-octadienyl ester, (?,E)-;CHEBI:169735;OGHBUHJLMHQMHS-KRDNBFTESA-N;TIGLIC ACID, GERANYL ESTER;Tox21_302492;LMFA07010898;MFCD00016622;AKOS015836332;NCGC00256644-01;BS-49190;LS-97801;PD087226;CAS-7785-33-3;GERANYL (E)-2-METHYL-2-BUTENOATE;CS-0206129;G0430;Q27275815;cis-.alpha.,.beta.-Dimethyl acrylic acid, geraniol ester;(E)-((E)-3,7-dimethylocta-2,6-dienyl) 2-methylbut-2-enoate;TIGLIC ACID, TRANS-3,7-DIMETHYL-2,6-OCTADIENYL ESTER;(E) - 3,7 - dimethyl - 2,6 - octadienyl 2 - methylcrotonate;2,6-Octadien-1-ol, 3,7-dimethyl-, 2-methyl-2-butenoate, (E,E)--;trans-3,7-Dimethyl-2,6-octadien-1-yl cis-.alpha.,.beta.-dimethyl acrylate

Chemical Property of Geranyl tiglate

Chemical Property:

• Refractive Index: n20/D 1.5335(lit.)
• Boiling Point: 197 °C
• Flash Point: 229 °F
• PSA: 0.00000
• Density: 0.887 g/cm³
• LogP: 0.00000
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 236.177630004
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

49%, ^*data from raw suppliers

Geranium oil, Chinese ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N
• Statements: 38-36/38-51/53-43-41
• Safety Statements: 36-26-61-36/37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB
• Canonical SMILES: CC=C(C)C(=O)OCC=C(C)CCC=C(C)C
• Isomeric SMILES: C/C=C(\C)/C(=O)OC/C=C(\C)/CCC=C(C)C
• Uses: Geranium oil Bourbon is a fragrance for use in various perfumes; odorant for tooth and dusting powders, ointments, etc.; tea rose, chypre, Rose bases. geranium oil (Pelargonium sp.) is refreshing, anti-irritant, mildly G tonic, and astringent. Although good for all skin types, it is particularly beneficial for oily and acne skins, and to those with inflammatory tendencies. The cell-regenerating activities claimed for geranium would also make it useful for aged skin. Although the many varieties of geranium-including wild geranium and english geranium-all belong to the same botanical family, their uses may differ. geranium oil is obtained by steam distillation from the entire plant, and is widely used in perfumery and cosmetics.