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Key Documents

479772

Sigma-Aldrich

Ethyl (R)-(−)-4-cyano-3-hydroxybutyrate

95%

Synonym(s):

(R)-(−)-4-Cyano-3-hydroxybutyratic acid, ethyl ester

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About This Item

Linear Formula:
NCCH2CH(OH)CH2CO2C2H5
CAS Number:
Molecular Weight:
157.17
Beilstein/REAXYS Number:
1764513
MDL number:
UNSPSC Code:
12352108
PubChem Substance ID:
NACRES:
NA.22

assay

95%

optical activity

[α]25/D −5°, neat

refractive index

n20/D 1.448 (lit.)

bp

270 °C (lit.)

density

1.114 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CCOC(=O)C[C@H](O)CC#N

InChI

1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1

InChI key

LOQFROBMBSKWQY-ZCFIWIBFSA-N

pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 1

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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