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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/REAXYS Number:
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

signalword

Danger

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 2

flash_point_f

208.4 °F - closed cup

flash_point_c

98 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
SHBP0887
SHBN8041
SHBN3804
STBK2092
SHBN2229

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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
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.
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
Richard D Ashby et al.
Bioresource technology, 118, 272-280 (2012-06-19)
Glycerine (a biodiesel co-product) and levulinic acid (a pulp and paper co-product) were used as co-substrates for the fermentative synthesis of short-chain polyhydroxyalkanoate (sc-PHA) biopolymers with tunable monomer and molecular weight characteristics. Pseudomonas oleovorans NRRL B-14682 utilized glycerine alone to
Pierre Gallezot
Chemical Society reviews, 41(4), 1538-1558 (2011-09-13)
This critical review provides a survey illustrated by recent references of different strategies to achieve a sustainable conversion of biomass to bioproducts. Because of the huge number of chemical products that can be potentially manufactured, a selection of starting materials
View All Related Papers

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