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

Odor

at 100.00 %. animal musk cedar ambergris woody

Odor Type

musk

Water Solubility 

3.29mg/L at 24℃

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

Ethanone, 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 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

Celestolide Usage And Synthesis

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

Regulatory Status

CoE: n/a
FDA: n/a
FDA (other): n/a
JECFA: Additional data required (2001).

Natural occurrence

Reported found in cooked asparagus.

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.

Chemical Properties

A crystalline compound with a musky, sweet, animal odor

Occurrence

Reported found in cooked asparagus

Uses

Used for fragrance compositions and perfumes with long-lasting fragrance

Preparation

From tert-butylbenzene

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.

Taste threshold values

Taste characteristics at 20 ppm: solvent-like with a dirty, musty brown, earthy nuance.

Flammability and Explosibility

Not classified

Trade name

Celestolide (IFF).

Celestolide(13171-00-1)Related Product Information

• Diethylene glycol monobutyl ether
• 4-tert-Butylphenol
• Cyhalofop-butyl
• 4-tert-Butylcatechol
• Dimethyl fumarate
• N,N-Dimethylformamide
• tert-Butyl acetate
• Dimethyl carbonate
• Buprofezin
• 1,1,3,3,5-PENTAMETHYL-4,6-DINITROINDANE
• Dimethyl sulfoxide
• Butyl acetate
• Butyl acrylate
• Dacthal
• ETHANE
• 2-Butoxyethanol
• Dimethyl ether
• tert-Butanol