2,2-Dimethylbutanoic acid
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2,2-Dimethylbutanoic acid
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CAS No:
595-37-9
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Formula:
C6H12O2
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Chemical Name:
2,2-Dimethylbutanoic acid
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Synonyms:
Butanoic acid,2,2-dimethyl-;Butyric acid,2,2-dimethyl-;Butyric acid,α,α-dimethyl-;2,2-Dimethylbutanoic acid;2,2-Dimethylbutyric acid;α,α-Dimethylbutyric acid;Neohexanoic acid;α,α-Dimethylbutanoic acid;NSC 16045;NSC 741804;tert-Amylcarboxylic acid
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CAS No:
2,2-Dimethylbutanoic acid Basic Attributes
116.16
116.16
209-865-0
AY606CN05O
16045
DTXSID0032811
2915900090
Safety Information
3
R36/37/38
S26-S36/37
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (97.41%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 193 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,2-Dimethylbutanoic acid Use and Manufacturing
2,2-Dimethylbutanoic acid can be used as a flavoring and fragrance ingredient to add fruity or buttery smells and flavors to foods, beverages, perfumes, and cosmetics. 2,2-Dimethylbutanoic acid is a key intermediate in the synthesis of pharmaceutical compounds and is used to produce certain drugs and active pharmaceutical ingredients (APIs) with therapeutic properties. It is a building block for organic synthesis reactions and undergoes various chemical transformations such as esterification, amidation, and condensation to produce structurally diverse compounds with valuable properties and functionalities. It can be used as a solvent or cosolvent in industrial processes to dissolve or disperse other substances in paint, coating, adhesive, and cleaning formulations. Moreover, 2,2-Dimethylbutanoic acid can serve as a molecular scaffold for the design of compounds with insecticidal activity against insects, weeds, and plant pathogens, helping to protect crops and increase agricultural productivity. 2,2-Dimethylbutanoic acid is used in chemical research laboratories as a reference standard or starting material for the synthesis of new compounds and can be used in studies related to organic chemistry, biochemistry, and medicinal chemistry.
Human drugs -> Rare disease (orphan)|Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Branched fatty acids [FA0102]
Computed Properties
Molecular Weight:116.16
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:116.083729621
Monoisotopic Mass:116.083729621
Topological Polar Surface Area:37.3
Heavy Atom Count:8
Complexity:94.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Recommended Suppliers of 2,2-Dimethylbutanoic acid
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![China]()
CN
8 YRS
Business licensedTrader Supplier of Food additives,Pharmaceutical raw materials,Chemicals,Comestic raw materialsInquiryUnit Price: $100 /KG EXWCAS No.: 595-37-9Grade: Feed GradeContent: 98% -
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CN
5 YRS
Business licensedTrader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives -
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CN
8 YRS
Business licensed Certified factoryManufactory Supplier of 2,2-Dimethylbutyryl chloride,2,2-Dimethyl Butyric Acid ,1-(4-chlorophenyl)-3-hydroxy-1-h-pyrazole ,Glyoxylic acid monohydrate -
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CN
4 YRS
Business licensed Certified factoryManufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals -
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CN
3 YRS
Business licensedTrader Supplier of api,Intermediates,Organic Chemistry,Inorganic Chemistry,Daily Chemicals,Cosmetic Raw Materals,CATALYST AND AUXILIARY,FLAVORS AND FRAGRANCES,Chemical Pesticides,ADDITIVEInquiryCAS No.: 595-37-9Grade: Pharmaceutical GradeContent: 99%
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