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tiglyl tiglate

Chemical Structure

General Material Information

Preferred name tiglyl tiglate
Trivial Name (2E)-2-Methyl-2-buten-1-yl (2E)-2-methyl-2-butenoate
Short Description trans-2-methyl-2-butenyl trans-2-methyl-2-butenoate
Formula C10 H16 O2
CAS Number 72845-40-0
FDA UNII Search
Nikkaji Number J447.303E
xLogP3-AA 2.80 (est)
NMR Predictor External link
Synonyms
  • trans- methyl butenyl tiglate
  • (E)-2-methyl-2-buten-1-yl tiglate
  • (E)-2-methyl-2-butenyl (E)-2-methyl-2-butenoate
  • trans-2-methyl-2-butenyl trans-2-methyl-2-butenoate
  • [(E)-2-methylbut-2-enyl] (E)-2-methylbut-2-enoate
  • (E)- methylbutenyl tiglate
  • [(E)-2-methylbut-2-enyl] (E)-2-methylbut-2-enoate
  • 2-Butenoic acid, 2-methyl-, (2E)-2-methyl-2-buten-1-yl ester, (2E)-
  • 2-Butenoic acid, 2-methyl-, 2-methyl-2-butenyl ester, (E,E)-
  • 2-Butenoic acid, 2-methyl-, (2E)-2-methyl-2-butenyl ester, (2E)-
  • (2E)-2-Methyl-2-buten-1-yl (2E)-2-methyl-2-butenoate

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Literature & References

[(E)-2-methylbut-2-enyl] (E)-2-methylbut-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5281188
Pubchem (sid):135234406
Publications by US Patents
4,567,291 - 2-Methyl-2-buten-1-yl tiglate

Other Information

(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
KEGG (GenomeNet):C08546
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 168.2359161377
Boiling Point 216 to 218°C @ 760 mm Hg
Vapor Pressure 0.127 mmHg @ 25 °C
Flash Point TCC Value 88.4 °C TCC
logP (o/w) 3.003 est
Solubility
alcohol Yes
water, 65.16 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
forest, humus, fungal, mushroom, anise, floral, leafy
General comment At 10.00 % in dipropylene glycol. damp forest soil fungus mushroom anise flowery leaf buds

Safety Information

Safety information

Hazards identification
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
Pictogram
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for tiglyl tiglate flavor usage levels up to:
not for flavor use.

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):72845-40-0
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5281188
National Institute of Allergy and Infectious Diseases:Data
[(E)-2-methylbut-2-enyl] (E)-2-methylbut-2-enoate
Chemidplus:0072845400