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ChemicalBook--->CAS DataBase List--->542-28-9

542-28-9

542-28-9 Structure

542-28-9 Structure
IdentificationMore
[Name]

delta-Valerolactone
[CAS]

542-28-9
[Synonyms]

4,5-DIHYDRO-5-METHYL-2 (3H)-FURANONE
4-HYDROXYPENTANOIC ACID LACTONE
4-HYDROXYVALERIC ACID G-LACTONE
4-PENTANOLIDE
4-VALEROLACTONE
DELTA-VALEROLACTONE
D-VALEROLACTONE
FEMA 3103
GAMMA-METHYL-GAMMA-BUTYROLACTONE
GAMMA-PENTANOLACTONE
GAMMA-VALEROLACTONE
G-VALEROLACTONE
TETRAHYDRO-2H-2-PYRANONE
TETRAHYDRO-2H-PYRAN-2-ONE
VALEROLACTONE, GAMMA-
1,2-pyrone,tetrahydro-
1-Oxacyclohexan-2-one
2H-pyran-2-one,tetrahydro-
5-Hydroxypentanoic acid delta-lactone
5-pentanolide
[EINECS(EC#)]

203-569-5
[Molecular Formula]

C5H8O2
[MDL Number]

MFCD00005400
[Molecular Weight]

100.12
[MOL File]

542-28-9.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellow liquid
[Melting point ]

-13 °C
[Boiling point ]

230 °C
[density ]

1.105 g/mL at 20 °C
[vapor density ]

3.45 (vs air)
[vapor pressure ]

8.8Pa at 20℃
[refractive index ]

n20/D 1.457(lit.)
[Fp ]

212 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Ethyl Acetate, Methanol
[form ]

Liquid
[color ]

Clear colorless to pale yellow
[Water Solubility ]

miscible
[BRN ]

106436
[Stability:]

Moisture Sensitive
[CAS DataBase Reference]

542-28-9(CAS DataBase Reference)
[NIST Chemistry Reference]

2H-Pyran-2-one, tetrahydro-(542-28-9)
[EPA Substance Registry System]

542-28-9(EPA Substance)
Questions And AnswerBack Directory
[Description]

δ-valerolactone, also known as 1,5-valerolactone, delta-valerolactone, tetrahydro-2H-2-pyrone, tetrahydro-o-pyrone, tetrahydrocoumarin; the English name is Delta -Valerolactone, the abbreviated name is generally δ -VL or DVL, and the molecular formula is C5H802. 
[Uses]

Due to its good application flexibility, lower biological toxicity, more derivative compounds, easy polymerization and greatly increase the viscosity of coatings and other characteristics, delta-valerolactone is widely used in polyesters, polyurethanes, special solvents, and coatings.
[Preparation]

In the first step, the 1,5-pentanediol raw material is fed into the drying tower for dehydration, to ensure that the water content is less than 1wt%, under optimized conditions, less than 0.5wt%, further optimization, less than 0.1wt%, further optimization situation , Less than 0.05wt%, that is, 500wppm; in the second step, the dried 1,5-pentanediol is mixed with hydrogen and then enters the vaporizer. The molar ratio of hydrogen to 1,5-pentanediol is 10-5:1 The third step will be vaporized 1,5-pentanediol and hydrogen into the dehydrogenation reactor, under the normal pressure of 0.1MPa, 230-270 conditions, under the action of the dehydrogenation catalyst, 1,5-pentanediol Alcohol is converted into δ-valerolactone, in which the yield of δ-valerolactone exceeds 98%, and the water content of the exported crude product is less than 0.5wt%.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R41:Risk of serious damage to eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
[WGK Germany ]

3
[RTECS ]

LU3580000
[Hazard Note ]

Irritant/Keep Cold
[TSCA ]

Yes
[HS Code ]

29322090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Cyclopentanone-->Peroxyacetic acid-->5-hydroxyvaleric acid-->Cyclobutanecarboxylic acid-->2H-PYRAN-3(4H)-ONE, DIHYDRO-
[Preparation Products]

Ethyl 5-bromovalerate-->2-HYDROXYTETRAHYDROPYRAN-->hex-5-enal-->1-Ethylpiperidine-->Adipic acid
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

delta-Valerolactone(542-28-9).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to pale yellow liquid
[Definition]

ChEBI: The simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2.
[Synthesis Reference(s)]

Canadian Journal of Chemistry, 52, p. 3651, 1974 DOI: 10.1139/v74-546
The Journal of Organic Chemistry, 48, p. 5160, 1983 DOI: 10.1021/jo00174a003
Journal of the American Chemical Society, 69, p. 1545, 1947 DOI: 10.1021/ja01198a517
[Flammability and Explosibility]

Nonflammable
[Purification Methods]

Purify the -lactone by repeated fractional distillation. IR: max 1750 (in CS2), 1732 (in CHCl3),1748 (in CCl4) and 1733 (in MeOH) cm-1 [Huisgen & Ott Tetrahedron 6 253 1959, Linstead & Rydon J Chem Soc 580 1933, Jones et al. Can J Chem 37 2007 1959]. [Beilstein 17 H 235, 17 II 287, 17 III/IV 4169,17/9 V 17.]
Spectrum DetailBack Directory
[Spectrum Detail]

delta-Valerolactone(542-28-9)MS
delta-Valerolactone(542-28-9)1HNMR
delta-Valerolactone(542-28-9)13CNMR
delta-Valerolactone(542-28-9)IR1
delta-Valerolactone(542-28-9)IR2
delta-Valerolactone(542-28-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

delta-Valerolactone, 99%(542-28-9)
[Alfa Aesar]

delta-Valerolactone, 98%, may contain polymer; distil to remove(542-28-9)
[Sigma Aldrich]

542-28-9(sigmaaldrich)
[TCI AMERICA]

delta-Valerolactone,>98.0%(GC)(542-28-9)
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