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W262706

Sigma-Aldrich

Levulinic acid

≥97%, FG

Synonym(s):

4-Oxopentanoic acid, 4-Oxovaleric acid

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About This Item

Linear Formula:
CH3COCH2CH2COOH
CAS Number:
123-76-2
Molecular Weight:
116.12
FEMA Number:
2627
Beilstein:
506796
EC Number:
204-649-2
Council of Europe no.:
23
MDL number:
MFCD00002796
UNSPSC Code:
12164502
PubChem Substance ID:
24901210
Flavis number:
8.023
NACRES:
NA.21

biological source

synthetic

Quality Level

400

grade

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FDA 21 CFR 172.515

vapor pressure

1 mmHg ( 102 °C)

Assay

≥97%

bp

245-246 °C (lit.)

mp

30-33 °C (lit.)

density

1.134 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

Organoleptic

caramel; creamy; acidic; sweet; vanilla

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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Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Statements

H302,H317,H318

Hazard Classifications

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

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

208.4 °F - closed cup

Flash Point(C)

98 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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Wenyang Pan et al.
Journal of industrial microbiology & biotechnology, 39(3), 459-469 (2011-09-29)
Sugar maple hemicellulosic hydrolysate containing 71.9 g/l of xylose was used as an inexpensive feedstock to produce polyhydroxyalkanoates (PHAs) by Burkholderia cepacia ATCC 17759. Several inhibitory compounds present in wood hydrolysate were analyzed for effects on cell growth and PHA production
Direct hydrocyclization of biomass-derived levulinic acid to 2-methyltetrahydrofuran over nanocomposite copper/silica catalysts.
Pravin P Upare et al.
ChemSusChem, 4(12), 1749-1752 (2011-11-25)
Nazlina Ya'aini et al.
Bioresource technology, 116, 58-65 (2012-05-23)
Conversion of glucose, empty fruit bunch (efb) and kenaf to levulinic acid over a new hybrid catalyst has been investigated in this study. The characterization and catalytic performance results revealed that the physico-chemical properties of the new hybrid catalyst comprised
Jitian Liu et al.
Carbohydrate research, 350, 20-24 (2012-01-24)
The conversion of D-fructose to 5-hydroxymethylfurfural (HMF) on a 1 mmol scale was achieved in good yield (68%) using NH(4)Cl as catalyst in isopropanol at 120°C. About 3% of 5-i-propoxymethylfurfural was formed. The reaction in ethanol at 100°C on a
Conversion of hemicellulose to furfural and levulinic acid using biphasic reactors with alkylphenol solvents.
Elif I Gürbüz et al.
ChemSusChem, 5(2), 383-387 (2012-01-26)
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