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53586

Sigma-Aldrich

(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:
70423-38-0
Molecular Weight:
104.15
Beilstein:
2343656
MDL number:
MFCD00671566
UNSPSC Code:
12352001
PubChem Substance ID:
57651421
NACRES:
NA.22

Assay

≥97.0% (sum of enantiomers, GC)

refractive index

n20/D 1.449

density

0.992 g/mL at 20 °C (lit.)

SMILES string

C[C@H](CO)CCO

InChI

1S/C5H12O2/c1-5(4-7)2-3-6/h5-7H,2-4H2,1H3/t5-/m0/s1

InChI key

MWCBGWLCXSUTHK-YFKPBYRVSA-N

Application

Used in the synthesis of sex pheromones of pine sawflies.

Storage Class Code

12 - Non Combustible Liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

53586-BULK-F:
53586-1ML-F:
53586-VAR-F:

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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