Celestolide

Celestolide Basic information
Identification Description Regulatory Status Natural occurrence
Product Name:Celestolide
Synonyms:1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone;1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1h-inden-4-yl]-ethanon;1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-Ethanone;4-acetyl-6-tert-butyl-1,1-dimethylindane,97%;Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-;FEMA 3653;CELESTOLIDE;CRYSOLIDE
CAS:13171-00-1
MF:C17H24O
MW:244.37
EINECS:236-114-4
Product Categories:Aromatics
Mol File:13171-00-1.mol
Celestolide Structure
Celestolide Chemical Properties
Melting point 68-70°C
Boiling point 117°C/0.6mmHg(lit.)
density 0.957±0.06 g/cm3(Predicted)
vapor pressure 0.05Pa at 24℃
FEMA 3653 | 4-ACETYL-6-T-BUTYL-1,1-DIMETHYLINDAN
storage temp. Sealed in dry,Room Temperature
solubility Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
form powder to crystal
color White crystals
Odorat 100.00 %. animal musk cedar ambergris woody
Odor Typemusk
Water Solubility 3.29mg/L at 24℃
λmax253nm(EtOH)(lit.)
JECFA Number812
InChIKeyIKTHMQYJOWTSJO-UHFFFAOYSA-N
LogP5.7 at 25℃
CAS DataBase Reference13171-00-1(CAS DataBase Reference)
NIST Chemistry ReferenceEthanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1h-inden-4-yl]-(13171-00-1)
EPA Substance Registry SystemEthanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]- (13171-00-1)
Safety Information
HS Code 2932990090
Hazardous Substances Data13171-00-1(Hazardous Substances Data)
toxicityBoth the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
MSDS Information
Celestolide Usage And Synthesis
Identification
CAS.No.: 
13171-00-1 
FL.No.: 
7.133
FEMA.No.: 
3653
NAS.No.: 
3653
CoE.No.: 
n/a 
EINECS.No.: 
236-114-4 
JECFA.No.: 
812
 
 
DescriptionA crystalline compound with a musky, sweet, animal odor.
Regulatory StatusCoE: n/a
FDA: n/a
FDA (other): n/a
JECFA: Additional data required (2001).


Natural occurrenceReported found in cooked asparagus.
Chemical PropertiesWhite Solid
Chemical PropertiesCelestolide is a musk fragrance that is prepared by reacting tert-butylbenzene with isoprene in the presence of sulfuric acid, followed by acetylation of the resulting 1 (cipher),1-dimethyl-6-tertbutylindane:
The indane is light-stable and is mainly used for perfuming soap and cosmetics.
Chemical PropertiesA crystalline compound with a musky, sweet, animal odor
OccurrenceReported found in cooked asparagus
UsesUsed for fragrance compositions and perfumes with long-lasting fragrance
PreparationFrom tert-butylbenzene
DefinitionChEBI: 4-Acetyl-6-tert-butyl-1,1-dimethylindane is a member of indanes.
Taste threshold valuesTaste characteristics at 20 ppm: solvent-like with a dirty, musty brown, earthy nuance.
Flammability and ExplosibilityNotclassified
Trade nameCelestolide (IFF).
Celestolide Preparation Products And Raw materials
Preparation Products1-[6-(TERT-BUTYL)-1,1-DIMETHYL-2,3-DIHYDRO-1H-INDEN-4-YL]ETHAN-1-ONE OXIME
Dacthal Fattyalkyl dimethyl amine 4-tert-Butylcatechol Cyhalofop-butyl 4-tert-Butylphenol tert-Butyl acetate N,N-Dimethylformamide ETHANE Buprofezin 1,1,3,3,5-PENTAMETHYL-4,6-DINITROINDANE tert-Butanol Diethylene glycol monobutyl ether Butyl acrylate Dimethyl fumarate Dimethyl sulfoxide Dimethyl ether Dimethyl carbonate 2-Butoxyethanol

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