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δ-Valerolactone

δ-Valerolactone structure

CAS No:
542-28-9
Formula:
C5H8O2
Chemical Name:
δ-Valerolactone
Synonyms:
2H-Pyran-2-one,tetrahydro-;Valeric acid,5-hydroxy-,δ-lactone;Tetrahydro-2H-pyran-2-one;δ-Valerolactone;Pentanoic acid,5-hydroxy-,δ-lactone;Tetrahydro-2-pyranone;5-Valerolactone;5-Hydroxypentanoic acid δ-lactone;δ-Valeryllactone;1-Oxacyclohexan-2-one;2-Oxotetrahydropyran;5-Hydroxypentanoic acid lactone;NSC 6247;Pentan-5-olide;Oxan-2-one;2425576-33-4
Categories:
Agrochemicals > Pesticide Intermediates

Description

clear colorless to pale yellow liquid

Liquid

5-valerolactone is the simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. It derives from a hydride of an oxane.

δ-Valerolactone Basic Attributes

Molecular Weight：

100.11600

Exact Mass：

100.12

EC Number：

208-807-1

UNII：

14V1X9149L

NSC Number：

65442|6247

DSSTox ID：

DTXSID6044438

HScode：

2932999099

Characteristics

PSA：

26.30000

XLogP3：

-0.3

Appearance：

Liquid

Density：

1.1130 g/cm³ @ Temp: 20 °C

Melting Point：

-12.5 °C

Boiling Point：

219 °C

Flash Point：

112ºC

Refractive Index：

1.456-1.459

Water Solubility：

Micible with water.

Storage Conditions：

2-8ºC

Vapor Density：

3.45 (vs air)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R41

safety instructions：

S26-S39

RTECS Number：

LU3580000

Marks：

Precautionary statement(s)：

P280-P305 + P351 + P338

Hazard Statements：

H318

GHS Classification：

|Danger|H318 (99.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]|P280, P305+P351+P338, and P310|Aggregated GHS information provided by 664 companies from 3 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

delta-valerolactone

δ-Valerolactone Use and Manufacturing

Uses

Δ-Valerolactone is a lactone used as a chemical intermediate in processes such as the production of polyesters.

Intermediates

Manufacturing Info：

All other chemical product and preparation manufacturing|2H-Pyran-2-one, tetrahydro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:100.12
XLogP3:-0.3
Hydrogen Bond Acceptor Count:2
Exact Mass:100.052429494
Monoisotopic Mass:100.052429494
Topological Polar Surface Area:26.3
Heavy Atom Count:7
Complexity:78.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Glutaric acid

1,5-Pentanediol

Dimethyl glutarate

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