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serenolide

Chemical Structure

General Material Information

Preferred name serenolide
Trivial Name 2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
Short Description cyclopropanecarboxylic acid 2-[1-(3,3-dimethyl cyclohexyl)ethoxy]-2-methylpropyl ester
Formula C18 H32 O3
CAS Number 477218-42-1
FDA UNII Search
Nikkaji Number J3.429.145D
xLogP3-AA 4.50 (est)
NMR Predictor External link
Synonyms
  • cyclopropanecarboxylic acid 2-[1-(3,3-dimethyl cyclohexyl)ethoxy]-2-methylpropyl ester
  • 2-(1-(3,3-dimethylcyclohexyl)ethoxy)-2-methylpropyl cyclopropanecarboxylate
  • 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
  • Cyclopropanecarboxylic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester
  • 2-[1-(3,3-Dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate

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

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Literature & References

2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):12022011
Pubchem (sid):135324299
Publications by Info
Serenolide
Publications by US Patents
7,390,779 - Cycloalkanecarboxylic acid derivatives as fragants with musk characteristics
Publications by PubMed
Present and future of cyclopropanations in fragrance chemistry.
From Cassyrane to cashmeran - the molecular parameters of odorants.

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 296.45065307617
Flash Point TCC Value 153.9 °C TCC
logP (o/w) 4.953 est
Solubility
alcohol Yes
water, 0.1391 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Musk
musk
General comment At 10.00 % in dipropylene glycol. musk

Potential Uses

Applications
Odor purposes Musk

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 serenolide 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):477218-42-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :12022011
National Institute of Allergy and Infectious Diseases:Data
2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
Chemidplus:0477218421