| Identification | More | [Name]
DL-3-Methylvaleric acid | [CAS]
105-43-1 | [Synonyms]
2-Methyl butane-1-carboxylic acid
3-METHYL-N-PENTANOIC ACID
3-METHYL-N-VALERIC ACID
3-METHYLPENTANOIC ACID
(+/-)-3-METHYLVALERIC ACID
3-METHYLVALERIC ACID
DL-3-METHYLVALERIC ACID
FEMA 3437
FEMA NUMBER 3437
PENTANOIC ACID, 3-METHYL-
SEC-BUTYLACETIC ACID
TIMTEC-BB SBB008180
3-methyl-pentanoicaci
beta-Methylvaleric acid
dl-2-methylvalericacid
DL-3-Methylvaleriansαure
Valeric acid, 3-methyl-
Valericacid,3-methyl-
Valericacid,3-methyl(DL)
β-Methylvalericacid | [EINECS(EC#)]
203-297-7 | [Molecular Formula]
C6H12O2 | [MDL Number]
MFCD00002729 | [Molecular Weight]
116.16 | [MOL File]
105-43-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to slightly yellow liquid | [Melting point ]
-41 °C | [Boiling point ]
196-198 °C (lit.) | [density ]
0.93 g/mL at 25 °C(lit.)
| [FEMA ]
3437 | [refractive index ]
n20/D 1.416(lit.)
| [Fp ]
185 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [pka]
pK1:4.766 (25°C) | [color ]
Colorless to Almost colorless | [Specific Gravity]
0.930 | [Odor]
at 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty | [Odor Type]
animal | [Water Solubility ]
insoluble | [JECFA Number]
262 | [BRN ]
1720696 | [InChIKey]
IGIDLTISMCAULB-UHFFFAOYSA-N | [LogP]
1.66 | [CAS DataBase Reference]
105-43-1(CAS DataBase Reference) | [NIST Chemistry Reference]
Pentanoic acid, 3-methyl-(105-43-1) | [EPA Substance Registry System]
105-43-1(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3265 8/PG 2
| [WGK Germany ]
3
| [F ]
13 | [Hazard Note ]
Corrosive | [TSCA ]
T | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
29159080 |
| Hazard Information | Back Directory | [Description]
3-Methylpentanoic has a sour, herbaceous, slightly green odor.
This is synthesized from the diethylester of sec-butyl-malonic acid. | [Chemical Properties]
clear colorless to slightly yellow liquid | [Occurrence]
Reported found in the oil from tobacco leaves (d-form), baked potato, parmesan, provolone and romano cheese,
goat and sheep cheese, lamb fat, rum, cocoa, black tea and chempedak (Arthocarpus polyphema). | [Uses]
3-Methylvaleric acid (3-Methylpentanoic acid) was used in the synthesis of 3-methyl-1-pentanol. | [Definition]
ChEBI: 3-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 3. It has a role as a plant metabolite, an animal metabolite, a fungal metabolite and a flavouring agent. It is a methyl-branched fatty acid, a short-chain fatty acid, a branched-chain saturated fatty acid and a monocarboxylic acid. It is a conjugate acid of a 3-methylvalerate. | [Preparation]
From the diethylester of sec-butyl-malonic acid. | [Aroma threshold values]
Detection: 46 to 280 ppb | [Taste threshold values]
Taste characteristics at 30 ppm: sour, cheesey, fresh with fruity notes | [Synthesis Reference(s)]
Journal of the American Chemical Society, 75, p. 6342, 1953 DOI: 10.1021/ja01120a539
The Journal of Organic Chemistry, 65, p. 397, 2000 DOI: 10.1021/jo991218a
Organic Syntheses, Coll. Vol. 2, p. 416, 1943 | [storage]
Store at -20°C |
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