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13171-00-1

13171-00-1 Structure

13171-00-1 Structure
IdentificationMore
[Name]

Celestolide
[CAS]

13171-00-1
[Synonyms]

1-[6-(TERT-BUTYL)-1,1-DIMETHYL-2,3-DIHYDRO-1H-INDEN-4-YL]ETHAN-1-ONE
1-(6-TERT-BUTYL-1,1-DIMETHYL-INDAN-4-YL)-ETHANONE
4-ACETYL-6-TERTIARY BUTYL-1,1-DIMETHYL INDANE
ADBI
CELESTOLIDE
CRYSOLIDE
FEMA 3653
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]-
6-tert-butyl-1,1-dimethylindan-4-yl methyl ketone
4-ACETYL-6-TERT-BUTYL-1,1-DIMETHYLINDANE
4-Acetyl-1,1-dimethyl-6-tert-butylindan
4-Acetyl-6-tert-butyl-1,1-dimethylindan
Esperone
acetyl tert-butyl dimethylindan
4-ACETAL-6-TERT-BUTYL-1,1-DIMETHYLINDAN
4-ACETYL-1,1-DIMETHYL-6-TERT-BUTYLDIHYDROINDENE
[EINECS(EC#)]

236-114-4
[Molecular Formula]

C17H24O
[MDL Number]

MFCD00046324
[Molecular Weight]

244.37
[MOL File]

13171-00-1.mol
Chemical PropertiesBack Directory
[Appearance]

White Solid
[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
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
[form ]

powder to crystal
[color ]

White crystals
[Odor]

at 100.00 %. animal musk cedar ambergris woody
[Odor Type]

musk
[Water Solubility ]

3.29mg/L at 24℃
[Usage]

Used for fragrance compositions and perfumes with long-lasting fragrance
[λmax]

253nm(EtOH)(lit.)
[JECFA Number]

812
[InChIKey]

IKTHMQYJOWTSJO-UHFFFAOYSA-N
[LogP]

5.7 at 25℃
[CAS DataBase Reference]

13171-00-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1h-inden-4-yl]-(13171-00-1)
[EPA Substance Registry System]

13171-00-1(EPA Substance)
Safety DataBack Directory
[HS Code ]

2932990090
[Hazardous Substances Data]

13171-00-1(Hazardous Substances Data)
[Toxicity]

Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg
Questions And AnswerBack Directory
[Description]

Celestolide is a superior quality of aroma, lasting good stability of synthetic musk, belonging to the binary ring indan compounds. Musk-like animal aroma, with powder and wood, soft and powerful aroma, as a kind of fragrance fixing agent widely used in modern daily chemical products, the market potential is huge, and by the flavor industry perfumers love.
[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
 
 
[Regulatory Status]

CoE: n/a
FDA: n/a
FDA (other): n/a
JECFA: Additional data required (2001).
[Natural occurrence]

Reported found in cooked asparagus.
Hazard InformationBack Directory
[Chemical Properties]

A crystalline compound with a musky, sweet, animal odor
[Chemical Properties]

Celestolide 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.
[Occurrence]

Reported found in cooked asparagus
[Uses]

Used for fragrance compositions and perfumes with long-lasting fragrance
[Definition]

ChEBI: 4-Acetyl-6-tert-butyl-1,1-dimethylindane(Celestolide) is a member of indanes. It is a synthetic polycyclic musk fragrance. It is used for perfuming soap and cosmetics.
[Preparation]

From tert-butylbenzene
[Taste threshold values]

Taste characteristics at 20 ppm: solvent-like with a dirty, musty brown, earthy nuance.
[Flammability and Explosibility]

Notclassified
[Trade name]

Celestolide (IFF).
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