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Merck
CN

245526

(S)-(+)-2-Methylbutyric acid

98%

Synonym(s):

(2S)-2-methylbutanoic acid, (S)-2-methylbutanoate, (S)-2-methylbutanoic acid, (S)-2-methylbutyric acid, 2-methylbutyric acid

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About This Item

Linear Formula:
C2H5CH(CH3)CO2H
CAS Number:
1730-91-2
Molecular Weight:
102.13
UNSPSC Code:
51113400
NACRES:
NA.22
PubChem Substance ID:
24854738
MDL number:
MFCD00063166
Beilstein/REAXYS Number:
1720485
Assay:
98%
Form:
liquid

Key Documents

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InChI

1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1

SMILES string

CC[C@H](C)C(O)=O

InChI key

WLAMNBDJUVNPJU-BYPYZUCNSA-N

assay

98%

form

liquid

optical activity

[α]20/D +19°, neat

optical purity

ee: 98% (GLC)

Quality Level

200

bp

78 °C/15 mmHg (lit.)

density

0.938 g/mL at 25 °C (lit.)

functional group

carboxylic acid

storage temp.

2-8°C

Related Categories

Application

(S)-(+)-2-Methylbutyric acid may be used in the preparation of the stereoisomers of (R)-lavandulyl (S)-2-methylbutanoate and (R)-maconelliyl (S)-2-methylbutanoate, which are female sex pheromones found in pink hibiscus mealybug.
Chiral starting material

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

163.4 °F - closed cup

flash_point_c

73 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
0000526290
0000526290
0000351118
0000351118
0000217520

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Lauren E Kelley et al.
Journal of agricultural and food chemistry, 66(10), 2414-2421 (2017-01-07)
Potent odorants in Native spearmint, Scotch spearmint, and Macho mint oils were determined by the combined use of gas chromatography-olfactometry (GCO), gas chromatography-mass spectrometry (GC-MS), and aroma extract dilution analysis (AEDA). Of the 85 odorants detected, ( R)-(-)-carvone was the
Sex pheromone of the pink hibiscus mealybug, Maconellicoccus hirsutus, contains an unusual cyclobutanoid monoterpene.
Zhang A, et al.
Proceedings of the National Academy of Sciences of the USA, 101(26), 9601-9606 (2004)
Gregory Kaler et al.
The Journal of biological chemistry, 282(33), 23841-23853 (2007-06-08)
Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine their substrate selectivity. We examined the substrate binding preferences and transport function of

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