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octyl crotonate

Chemical Structure

General Material Information

Preferred name octyl crotonate
Trivial Name Octyl 2-butenoate
Short Description 2-butenoic acid, octyl ester
Formula C12 H22 O2
CAS Number 22874-79-9
ECHA Number 245-279-1
FDA UNII Search
NMR Predictor External link
Synonyms
  • 2-butenoic acid octyl ester
  • 2-butenoic acid, octyl ester
  • crotonic acid octyl ester
  • octyl 2-butenoate
  • octyl but-2-enoate
  • 2-Butenoic acid, octyl ester
  • Crotonic acid, octyl ester
  • NSC 67892

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

octyl but-2-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22874-79-9
Pubchem (cid):90848
Pubchem (sid):135047968
Publications by US Patents
8,183,200 - Organoleptic compound
Organoleptic compound

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
HMDB (The Human Metabolome Database):Search
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 198.30574035645
Boiling Point 251 to 253°C @ 760 mm Hg
Vapor Pressure 0.0168 mmHg @ 25 °C
Flash Point TCC Value 118.33 °C TCC
logP (o/w) 7.158 est
Solubility
alcohol Yes
water, 5.496 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Fruity
fruity, hay, winey, mushroom, chemical
General comment At 100.00 %. fruity with hay quality, winey with mushroom note, slightly harsh and chemical

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 octyl crotonate 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):22874-79-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :90848
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
octyl but-2-enoate
Chemidplus:0022874799