1118-47-4

Basic information

• Product Name: 4,4-DIMETHYLPENTANOIC ACID
• Synonyms: 4,4-DIMETHYLPENTANOIC ACID;4,4-Dimethylvaleric acid;4,4-dimethylpentanoic acid(SALTDATA: FREE);Pentanoic acid, 4,4-dimethyl-
• CAS NO: 1118-47-4
• Molecular Formula: C₇H₁₄O₂
• Molecular Weight: 130.18
• Mol File: 1118-47-4.mol
• Article Data: 21

Chemical Properties

• Melting Point: 81.5-82 °C
• Boiling Point: 210.1°C (estimate)
• Flash Point: 92 °C
• Appearance: /
• Density: 0.9221 (rough estimate)
• Vapor Pressure: 0.0889mmHg at 25°C
• Refractive Index: 1.4078 (estimate)
• PKA: pK1:4.79 (18°C)
• CAS DataBase Reference: 4,4-DIMETHYLPENTANOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4-DIMETHYLPENTANOIC ACID(1118-47-4)
• EPA Substance Registry System: 4,4-DIMETHYLPENTANOIC ACID(1118-47-4)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 1118-47-4(Hazardous Substances Data)

Usage

Synthesis Reference(s)

Tetrahedron Letters, 21, p. 2181, 1980 DOI: 10.1016/S0040-4039(00)78992-1

InChI:InChI=1/C7H14O2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3,(H,8,9)

Upstream product

• 74-85-1 ethene 
• 507-20-0 tertiary butyl chloride 
• 143-33-9 sodium cyanide 
• 2855-08-5 1-chloro-3,3-dimethylbutane 
• 3121-79-7 4,4-dimethyl-1-pentanol 
• 16812-85-4 4,4-dimethyl-pent-2-enoic acid methyl ester 
• 22147-62-2 ethyl (E)-4,4-dimethyl-2-pentenoate 
• 630-19-3 pivalaldehyde 
• 590-50-1 4,4-dimethyl-pentan-2-one 
• 68880-56-8 1-(p-toluenesulfonyloxy)-3,3-dimethylbutane 
• 1070-83-3 tert-Butylacetic acid 
• 314765-33-8 (E)-2-(1H-1,2,3-benzotriazol-1-yl)-1-neopentylethenyl trifluoromethanesulfonate 
• 361379-22-8 (Z)-1-(1H-1,2,3-benzotriazol-1-yl)-4,4-dimethyl-1-penten-2-yl trifluoromethanesulfonate 
• 314765-22-5 1-(1H-1,2,3-benzotriazol-1-yl)-4,4-dimethyl-2-pentanone 

Downstream Products

• 268733-98-8 4-bromophenyl 4,4-dimethylpentanoate 
• 6570-95-2 1-bromo-4,4-dimethylpentane 
• 268733-94-4 5-[4-(4,4-dimethyl-pentyloxy)-phenyl]-pent-4-ynoic acid methyl ester 
• 268733-95-5 5-[4-(2-isopropyl-4,4-dimethyl-pentyloxy)-phenyl]-pent-4-ynoic acid methyl ester 
• 153187-02-1 4,4-dimethylpentanoyl m-chlorobenzoyl peroxide 
• 1404378-97-7 4,4-dimethyl-1-piperidine-1-ylpentan-1-one 
• 1404378-39-7 5-(2-chloro-4-methylphenylcarbamoyl)-4-{4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]isoxazol-3-yl}valeric acid 
• 1404378-09-1 5-(4-chloro-2-methylphenylcarbamoyl)-4-{4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]isoxazol-3-yl}valeric acid 

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