84696-81-1

Basic information

• Product Name: ethyl 3-hydroxy-3,7-dimethyloctanoate
• Synonyms: ethyl 3-hydroxy-3,7-dimethyloctanoate;3-Hydroxy-3,7-dimethyloctanoic acid ethyl ester;Einecs 283-688-7
• CAS NO: 84696-81-1
• Molecular Formula: C₁₂H₂₄O₃
• Molecular Weight: 216.31716
• EINECS: 283-688-7
• Mol File: 84696-81-1.mol

Chemical Properties

• Boiling Point: 300.7°C at 760 mmHg
• Flash Point: 114.9°C
• Appearance: /
• Density: 0.948g/cm³
• Vapor Pressure: 0.000109mmHg at 25°C
• Refractive Index: 1.446
• CAS DataBase Reference: ethyl 3-hydroxy-3,7-dimethyloctanoate(CAS DataBase Reference)
• NIST Chemistry Reference: ethyl 3-hydroxy-3,7-dimethyloctanoate(84696-81-1)
• EPA Substance Registry System: ethyl 3-hydroxy-3,7-dimethyloctanoate(84696-81-1)

Safety Data

• Hazardous Substances Data: 84696-81-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H24O3/c1-5-15-11(13)9-12(4,14)8-6-7-10(2)3/h10,14H,5-9H2,1-4H3

Upstream product

• 105-36-2 ethyl bromoacetate 
• 928-68-7 6-methylheptan-2-one 
• 623-48-3 ethyl iodoacetae 
• 105650-24-6 methyl (±)-3-hydroxy-3,7-dimethyloct-6-enoate 
• 110-93-0 6-Methyl-hept-5-en-2-on 
• 54211-39-1 3-hydroxy-3,7-dimethyl-oct-6-enoic acid ethyl ester 

Relevant articles and documents

First total syntheses and antimicrobial evaluation of penicimonoterpene, a marine-derived monoterpenoid, and its various derivatives

The first total synthesis of marine-derived penicimonoterpene (±)-1 has been achieved in four steps from 6-methylhept-5-en-2-one using a Reformatsky reaction as the key step to construct the basic carbon skeleton. A total of 24 new derivatives of 1 have also been designed and synthesized. Their structures were characterized by analysis of their 1H NMR, 13C NMR and HRESIMS data. Some of them showed significant antibacterial activity against Aeromonas hydrophila, Escherichia coli, Micrococcus luteus, Staphylococcus aureus, Vibrio anguillarum, V. harveyi and/or V. parahaemolyticus, and some showed activity against plant-pathogenic fungi (Alternaria brassicae, Colletotrichum gloeosporioides and/or Fusarium graminearum). Some of the derivatives exhibited antimicrobial MIC values ranging from 0.25 to 4 μg/mL, which were stronger than those of the positive control. Notably, Compounds 3b and 10 showed extremely high selectively against plant-pathogenic fungus F. graminearum (MIC 0.25 μg/mL) and pathogenic bacteria E. coli (MIC 1 μg/mL), implying their potential as antimicrobial agents. SAR analysis of 1 and its derivatives indicated that modification of the carbon-carbon double bond at C-6/7, of groups on the allylic methylene unit and of the carbonyl group at C-1, effectively enhanced the antimicrobial activity.

Anti-marine Vibrio monoterpene derivative and its preparation method and application

The invention relates to a monoterpene derivative, and concretely relates to an anti-Vibrio vulnificus monoterpene derivative, and a preparation method and an application thereof. The monoterpene derivative is represented by a structural formula 1; and in the structural formula 1, R is CH3, -CH2CH3 or CH3CO-. The derivative has Vibrio vulnificus inhibition activity, and can be used to prepare anti-Vibrio vulnificus drugs or preparations.