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Merck
CN

61380

Levulinic acid

purum, ≥97.0% (GC)

Synonym(s):

4-Oxopentanoic acid, 4-Oxovaleric acid

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About This Item

Linear Formula:
CH3COCH2CH2COOH
CAS Number:
Molecular Weight:
116.12
EC Number:
204-649-2
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
506796
MDL number:
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vapor pressure

1 mmHg ( 102 °C)

grade

purum

assay

≥97.0% (GC)

impurities

~1% water

bp

245-246 °C (lit.)

mp

30-33 °C (lit.)

density

1.134 g/mL at 25 °C (lit.)

SMILES string

CC(=O)CCC(O)=O

InChI

1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)

InChI key

JOOXCMJARBKPKM-UHFFFAOYSA-N

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Other Notes

Hydroxyl protecting reagent, used in carbohydrate chemistry

Disclaimer

readily supercools; white to pale yellow crystals when solid

pictograms

CorrosionExclamation mark

signalword

Danger

Hazard Classifications

Acute Tox. 4 Oral - Eye Dam. 1 - Skin Sens. 1

flash_point_f

208.4 °F - closed cup

flash_point_c

98 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Storage Class

11 - Combustible Solids

Regulatory Information

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K.K. Oglivie et al.
Tetrahedron Letters, 23, 2615-2615 (1982)
H.J. Koeners et al.
Tetrahedron Letters, 21, 381-381 (1980)

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