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Merck
CN

61238

(S)-γ-Valerolactone

≥97.5% (GC)

Synonym(s):

(5S)-4-Hydroxypentanoic acid lactone, (5S)-5-Methyloxolan-2-one, (S)-γ-Methyl-γ-butyrolactone, (S)-Dihydro-5-methyl-2(3H)-furanone, (S)-5-Methyl-2-oxotetrahydrofuran

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About This Item

Empirical Formula (Hill Notation):
C5H8O2
CAS Number:
19041-15-7
Molecular Weight:
100.12
PubChem Substance ID:
329759404
UNSPSC Code:
12352204
Beilstein/REAXYS Number:
3536337
MDL number:
MFCD01863132

Key Documents

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Product Name

(S)-γ-Valerolactone, ≥97.5% (GC)

SMILES string

C[C@H]1CCC(O1)=O

InChI key

GAEKPEKOJKCEMS-BYPYZUCNSA-N

InChI

1S/C5H8O2/c1-4-2-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m0/s1

assay

≥97.5% (GC)

form

liquid

optical purity

enantiomeric excess: ≥97.0% (GC)

storage temp.

2-8°C

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Biochem/physiol Actions

Metabolite for urine analysis, metabolite of interest in pathways of biomass utilization.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
STBD5603V

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Identification of the metabolites of n-hexane, cyclohexane, and their isomers in men's urine.
L Perbellini et al.
Toxicology and applied pharmacology, 53(2), 220-229 (1980-04-01)
Shinji Nakamura et al.
Journal of the American Chemical Society, 126(28), 8769-8776 (2004-07-15)
The mechanism of the optical resolution of gamma-valerolactone (VAL) enantiomers by enclathration in cholic acid (CA) channels was investigated. 13C cross-polarization magic-angle spinning spectra of CA/VAL inclusion compounds show four methyl 13C peaks of VAL with different intensities depending on
Gorissen, H. J., et al.
Chirality, 4, 286-294 (1992)

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