53586
(S)-2-Methyl-1,4-butanediol
≥97.0% (sum of enantiomers, GC)
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About This Item
Empirical Formula (Hill Notation):
C5H12O2
CAS Number:
Molecular Weight:
104.15
UNSPSC Code:
12352001
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
2343656
Assay:
≥97.0% (sum of enantiomers, GC)
InChI
1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1
SMILES string
C[C@H](CO)CCO
InChI key
MWCBGWLCXSUTHK-YFKPBYRVSA-N
assay
≥97.0% (sum of enantiomers, GC)
refractive index
n20/D 1.449
density
0.992 g/mL at 20 °C (lit.)
Quality Level
Application
Used in the synthesis of sex pheromones of pine sawflies.
Storage Class
12 - Non Combustible Liquids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves
Regulatory Information
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Pei-Qiang Huang et al.
The Journal of organic chemistry, 69(11), 3964-3967 (2004-05-22)
(2S,3S,7S)-3,7-Dimethylpentadecan-2-yl acetate (2) and its propionate analogue (3) are the main sex pheromones of all Neodiprion species and Diprion similes, respectively. Starting from (S)-malic acid and employing a highly chemo-, regio-, and stereoselective tandem ester reduction-epoxide formation-reductive epoxide-opening reaction protocol
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