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Merck
CN

67024

(R)-1-Methyl hydrogen 3-methylglutarate

≥98.0% (sum of enantiomers, GC)

Synonym(s):

(R)-Monomethyl 3-methylglutarate, (R)-mono-Methyl 3-methylglutarate

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About This Item

Empirical Formula (Hill Notation):
C7H12O4
CAS Number:
Molecular Weight:
160.17
PubChem Substance ID:
UNSPSC Code:
12352201
Beilstein/REAXYS Number:
1723141
MDL number:
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SMILES string

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

InChI

1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1

InChI key

BYBMHSADRRMVHY-RXMQYKEDSA-N

assay

≥98.0% (sum of enantiomers, GC)

optical purity

enantiomeric ratio: ≥90:10 (R:S) (GC)

refractive index

n20/D 1.438

density

1.116 g/mL at 20 °C (lit.)

storage temp.

2-8°C

Other Notes

Chiral building block

pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk

WGK 3

flash_point_f

230.0 °F - closed cup

flash_point_c

110 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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C.F. Francis et al.
Journal of the Chemical Society. Chemical Communications, 579-579 (1984)

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