13171-00-1 Usage
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
Description
A crystalline compound with a musky, sweet, animal odor.
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
Different sources of media describe the Chemical Properties of 13171-00-1 differently. You can refer to the following data:
1. White Solid
2. 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.
3. 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
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).
Check Digit Verification of cas no
The CAS Registry Mumber 13171-00-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,1,7 and 1 respectively; the second part has 2 digits, 0 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 13171-00:
(7*1)+(6*3)+(5*1)+(4*7)+(3*1)+(2*0)+(1*0)=61
61 % 10 = 1
So 13171-00-1 is a valid CAS Registry Number.
InChI:InChI=1/C17H24O/c1-5-6-7-13-10-15(12(2)18)14-8-9-17(3,4)16(14)11-13/h10-11H,5-9H2,1-4H3
13171-00-1Relevant articles and documents
Aza-retinoids as novel retinoid X receptor-specific agonists
Farmer, Luc J.,Marron, Kristen S.,Canan Koch, Stacie S.,Hwang,Kallel, E. Adam,Zhi, Lin,Nadzan, Alex M.,Robertson, Dave W.,Bennani, Youssef L.
, p. 2352 - 2356 (2007/10/03)
A new structurally simple series of potent lipophilic aza-retinoids RXR agonists has been developed. SAR studies for the N-alkyl-azadienoic acids described here demonstrate that the RXR activity profile is sensitive to the N-alkyl chain length. Further, we have expanded the work to include azadienoic acids, which exhibited many accessible conformations leading to a better understanding of the SAR around the series.
STRUCTURE OF THE SIDE PRODUCTS IN THE SYNTHESIS OF 4-ACETYL-1,1-DIMETHYL-6-TERT-BUTYLINDANE
Smirnova, O. B.,Cherkaev, G. V.,Shekhtman, N. M.
, p. 2123 - 2127 (2007/10/02)
The minor products from the acetylation of 1,1-dimethyl-6-tert-butylindane with acetyl chloride were isolated and identified by PMR spectroscopy.The configuration of the substituents in isomeric compounds with an identical type of substitution in the aromatic ring was established by means of the long-range spin-spin coupling constants of the aromatic protons with the protons of the five-membered ring.