Levulinic acid

CAT: 1410-M20243-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:1410-M20243-02Size:500 mg

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Description

Levulinic acid derived from the degradation of cellulose is a precursor for the synthesis of biofuels such as ethyl levulinate.

CAS Number

123-76-2

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

116.12

Molecular Formula

C5H8O3

Notes

Research use only, not for human use.

Receptor

Others

Chemical Information

Levulinic Acid

4-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 4-position. It has a role as a plant metabolite. It is an oxopentanoic acid and a straight-chain saturated fatty acid. It is a conjugate acid of a 4-oxopentanoate.

CAS Number	123-76-2
PubChem CID	11579
IUPAC Name	4-oxopentanoic acid
Molecular Formula	C5H8O3
Molecular Weight	116.11
XLogP	-0.5
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	106

SMILES

CC(=O)CCC(=O)O

InChI

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

InChIKey

JOOXCMJARBKPKM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 123-76-2

CID: 11579

Formula: C5H8O3

MW: 116.11

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	116.11
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
FL37560-01	Levulinic acid
HY-Y0839S-01	Levulinic acid-d5
GYB18552-01	Levulinic-d5 acid
HY-Y0839R-01	Levulinic acid (Standard)

Levulinic acid

Chemical Information

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