W262706

Sigma-Aldrich

Levulinic acid

≥97%, FG

Synonym(s):
4-Oxopentanoic acid, 4-Oxovaleric acid
Linear Formula:
CH3COCH2CH2COOH
CAS Number:
Molecular Weight:
116.12
FEMA Number:
2627
Beilstein/REAXYS Number:
506796
EC Number:
Council of Europe no.:
23
MDL number:
PubChem Substance ID:
Flavis number:
8.023
NACRES:
NA.21

Quality Level

biological source

synthetic

grade

FG
Halal
Kosher

Agency/Method

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

caramel; creamy; acidic; sweet; vanilla

food allergen

no known allergens

fragrance allergen

no known allergens

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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Related Categories

Packaging

5, 10, 25 kg in poly drum
1 kg in glass bottle

Other Notes

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Pictograms

CorrosionExclamation mark

Signal Word

Danger

Hazard Statements

hazcat

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

storage_class_code

13 - Non Combustible Solids

WGK Germany

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

Ronen Weingarten et al.
ChemSusChem, 5(7), 1280-1290 (2012-06-15)
We have developed a kinetic model for aqueous-phase production of levulinic acid from glucose using a homogeneous acid catalyst. The proposed model shows a good fit with experimental data collected in this study in a batch reactor. The model was...
Huifang Ren et al.
Bioresource technology, 129, 616-619 (2013-01-23)
A highly selective approach to produce levulinic acid from cellulose was developed via microwave-assisted synthesis in SO3H-functionalized ionic liquids (SFILs). The effects of reaction conditions and ionic liquid structures on the yield of levulinic acid have been investigated, where the...
Stijn Van de Vyver et al.
Chemical communications (Cambridge, England), 48(29), 3497-3499 (2012-03-02)
Acid-catalyzed condensation of levulinic acid and phenol into high yields of diphenolic acid (>50%) is possible with a combination of sulfonated hyperbranched polymers and thiol promotors, either added as a physical mixture or bound to the polymer by ion-pairing.
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)
Maria Dyah Nur Meinita et al.
Bioprocess and biosystems engineering, 35(1-2), 93-98 (2011-09-13)
Red seaweed, Kappaphycus alvarezii, holds great promise for use in biofuel production due to its high carbohydrate content. In this study, we investigated the effect of fermentation inhibitors to the K. alvarezii hydrolysate on cell growth and ethanol fermentation. In...

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