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Merck
CN

W262706

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
Council of Europe no.:
23
UNSPSC Code:
12164502
PubChem Substance ID:
24901210
Flavis number:
8.023
EC Number:
204-649-2
NACRES:
NA.21
MDL number:
MFCD00002796
Beilstein/REAXYS Number:
506796
Organoleptic:
caramel; creamy; acidic; sweet; vanilla
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens

Key Documents

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biological source

synthetic

Quality Level

300, 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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Related Categories

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

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
SHBT6746
SHBT6747
SHBT0847
SHBT0848
SHBS9630

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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)
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
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
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.
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Global Trade Item Number

SKUGTIN
W262706-10KG-K04061835513437
W262706-25KG-K04061835518586
W262706-5KG-K04061835516452
W262706-1KG-K04061835565726
W262706-SAMPLE-K04061834404552

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