38765-83-2

Basic information

• Product Name: BUTYRIC-1-13C ACID
• Synonyms: BUTANOIC ACID-1-13C;BUTYRIC-1-13C ACID;BUTYRIC-1-13C ACID, 99 ATOM % 13C;butyric acid-1-13c
• CAS NO: 38765-83-2
• Molecular Formula: C₄H₈O₂
• Molecular Weight: 89.11
• Mol File: 38765-83-2.mol

Chemical Properties

• Melting Point: -6--3 °C(lit.)
• Boiling Point: 162 °C(lit.)
• Flash Point: 170 °F
• Appearance: /
• Density: 0.975 g/mL at 25 °C
• Refractive Index: n20/D 1.3969(lit.)
• CAS DataBase Reference: BUTYRIC-1-13C ACID(CAS DataBase Reference)
• NIST Chemistry Reference: BUTYRIC-1-13C ACID(38765-83-2)
• EPA Substance Registry System: BUTYRIC-1-13C ACID(38765-83-2)

Safety Data

• Hazard Codes: C
• Statements: 20/21/22-34
• Safety Statements: 26-27-36/37/39-45-36
• RIDADR: UN 2820 8/PG 3
• WGK Germany: 3
• Hazardous Substances Data: 38765-83-2(Hazardous Substances Data)

Upstream product

• 1111-72-4 carbon dioxide 
• 106-94-5 propyl bromide 
• 927-77-5 n-propylmagnesium bromide 
• 74-98-6 propane 
• 1641-69-6 [13C]Carbon monoxide 
• 76-05-1 trifluoroacetic acid 

Downstream Products

• 75-07-0 acetaldehyde 
• 123-38-6 propionaldehyde 
• 67-64-1 acetone 

Relevant articles and documents

Highly efficient direct carboxylation of propane into butyric acids catalyzed by vanadium complexes

A direct and highly efficient carboxylation of propane by carbon monoxide into butyric acids (mainly isobutyric and, in a smaller amount, n-butyric), in the presence of potassium peroxodisulphate (K2S2O 8) and in trifluoroacetic acid solution, has been achieved by using a vanadium catalytic system based on Ca[V{ON(CH(CH3)COO) 2}2] (synthetic amavadine), its model compounds Ca[V{ON-(CH2COO)2}2] or [VO(N(CH 2CH2O)3}] - other simpler vanadium compounds, such as [VO(acac)2] or VOSO4, are less active. Overall yields (based on pro- ane) of carboxylic acids up to 70% and TON values up to 18.4 × 103 have been reached. The effects of various factors such as the propane and carbon monoxide pressures, temperature, time, catalyst amount and radical traps have been investigated, the reactions are shown to proceed via both C- and O-centred radicals, with K2S 2O8 playing the role of an oxidant via a free radical mechanism.

Intermediacy of ion neutral complexes in the fragmentation of short-chain dialkyl sulfides

The main fragmentation processes after electron ionization of butyl methyl and butyl ethyl sulfides are rationalized by the intermediacy of the ion neutral complex [RSH · methylcyclopropane](+·) as demonstrated by extensive labeling and collision activation studies.

Pseudo One-Step Cleavage of C-C Bonds in the Decomposition of Ionized Carboxyclic Acids. Radical Like Reactions in Mass Spectrometry

Metastable molecular ions of hexanoic acid (1) decompose unimolecularly to C2H5. and protonated methacrylic acid (5-H+)(92percent rel. abund.).Investigation of the mechanism reveals that 1) the branched cation radical 11 must be regarded as the essential intermediate in the course of the rearrangement/dissociation reaction and 2) the process commences with intramolecular hydrogen transfer from either C-3 or C-5 to the ionized carbonyl oxygen ("hidden" hydrogen migration).Hydrogen transfer from C-4, which would correspond to the well-known McLafferty rearrangement, is of no importance in the C2H5.-elimination from 1.The same conclusion applies for various alternative mechanisms, as for example a SRi type reaction, 1 -> 2-H+.The gas phase chemistry of the cation radical of 1, and in particular the hydrogen exchange processes between the methylene groups C-2/C-3 and C-5/C-6, is in surprisingly close correspondence to the chemistry of free alkyl radicals. - The syntheses of various 13C and 2H-labelled model compounds are described.