69844-33-3

• 

• Basic information

  1. Product Name: 5-methyl-2-(isopropyl)phenyl isovalerate
  2. Synonyms: 5-methyl-2-(isopropyl)phenyl isovalerate;3-Methylbutyric acid 5-methyl-2-isopropylphenyl ester
  3. CAS NO:69844-33-3
  4. Molecular Formula: C₁₅H₂₂O₂
  5. Molecular Weight: 234.33398
  6. EINECS: 274-146-0
  7. Product Categories: N/A
  8. Mol File: 69844-33-3.mol
  9. Article Data: 5

• Chemical Properties

  1. Melting Point: N/A
  2. Boiling Point: 294.9°C at 760 mmHg
  3. Flash Point: 106.7°C
  4. Appearance: /
  5. Density: 0.963g/cm³
  6. Vapor Pressure: 0.00158mmHg at 25°C
  7. Refractive Index: 1.49
  8. Storage Temp.: N/A
  9. Solubility: N/A
  10. CAS DataBase Reference: 5-methyl-2-(isopropyl)phenyl isovalerate(CAS DataBase Reference)
  11. NIST Chemistry Reference: 5-methyl-2-(isopropyl)phenyl isovalerate(69844-33-3)
  12. EPA Substance Registry System: 5-methyl-2-(isopropyl)phenyl isovalerate(69844-33-3)

• Safety Data

  1. Hazard Codes: N/A
  2. Statements: N/A
  3. Safety Statements: N/A
  4. WGK Germany:
  5. RTECS:
  6. HazardClass: N/A
  7. PackingGroup: N/A
  8. Hazardous Substances Data: 69844-33-3(Hazardous Substances Data)

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• Butanoic acid,3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester

  Cas No: 69844-33-3

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• Butanoic acid,3-methyl-, 5-methyl-2-(1-methylethyl)phenyl ester

  Cas No: 69844-33-3

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69844-33-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 69844-33-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 6,9,8,4 and 4 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 69844-33:
(7*6)+(6*9)+(5*8)+(4*4)+(3*4)+(2*3)+(1*3)=173
173 % 10 = 3
So 69844-33-3 is a valid CAS Registry Number.

InChI:InChI=1/C15H22O2/c1-10(2)8-15(16)17-14-9-12(5)6-7-13(14)11(3)4/h6-7,9-11H,8H2,1-5H3

69844-33-3SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name	(5-methyl-2-propan-2-ylphenyl) 3-methylbutanoate

1.2 Other means of identification

Product number	-
Other names	Thymyl 3-methylbutanoic acid ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses	For industry use only.
Uses advised against	no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number	-
Service hours	Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:69844-33-3 SDS

69844-33-3Upstream product

• 503-74-2 3-methylbutyric acid 
• 89-83-8 thymol 
• 80356-12-3 1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-methyl-butan-1-one 
• 7664-93-9 sulfuric acid 
• 86119-84-8 phosphoric acid 
• 7791-25-5 sulfuryl dichloride 
• 7719-09-7 thionyl chloride 
• 108-12-3 isopentanoyl chloride 

69844-33-3Downstream Products

• 80356-12-3 1-(4-hydroxy-5-isopropyl-2-methyl-phenyl)-3-methyl-butan-1-one 
• 89-83-8 thymol 

69844-33-3Relevant articles and documents

Synthesis, antimicrobial activity and in silico studies on thymol esters

Lazarevi?, Jelena,Kolarevi?, Ana,Dordevi?, Aleksandra,Stojanovi?, Gordana,?melcerovi?, Andrija,Ciuffreda, Pierangela,Santaniello, Enzo

, p. 603 - 612 (2017/09/11)

Derivatisation of parent structure in terpenoids often results in enhancement of biological activity of newly obtained compounds. Thymol, a naturally occurring phenol biosynthesized through the terpene pathway, is a well known biocide with strong antimicrobial attributes and diverse therapeutic activities. We have aimed our study on a single modification of phenolic functionality in thymol in order to obtain a small focused library of twenty thymyl esters, ten of which were new compounds. All compounds were involved in in vitro antimicrobial testing. Another important aspect of current study was implementation of in silico calculation of physico-chemical, pharmacokinetic and toxicological properties, which could be helpful by giving an additional guidance in further research.

Synthesis and in vitro antibacterial activity of thymol and carvacrol derivatives

Mathela, Chandra S.,Singh, Krishna K.,Gupta, Vivek K.

experimental part, p. 375 - 380 (2011/08/06)

Fourteen esters of thymol and carvacrol were synthesized and characterized on the basis of spectral data. The NMR data for some of these are being given for the first time. The antibacterial activity screening of thymol, carvacrol and their esters were carried out against four Gram-positive (Streptococcus mutans MTCC 890, Staphylococcus aureus MTCC 96, Bacillus subtilis MTCC 121, Staphylococcus epidermidis MTCC 435) and one Gram-negative (Escherichia coli MTCC 723) bacteria. The enhancement in activity was noticed in the thymyl ester derivatives 4a-c (against S. mutans, B. subtilis and S. epidermidis) in comparison to thymol, whereas the carvacrol derivatives were found to be much less active than carvacrol.

Thymyl esters of 2-methylbutyric and 3-methylbutyric acids in the essential oils from subterranean parts of Arnica alpina (L.) Olin.

Schmitz,Schaden,Kating

, p. 65 - 68 (2007/10/14)

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