γ-Valerolactone

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Names

[ CAS No. ]:
108-29-2

[ Name ]:
γ-Valerolactone

[Synonym ]:
γ-Valeryllactone
Pentanoic acid, 4-hydroxy-, .γ.-lactone
gamma-valerolactone
2(3H)-Furanone, dihydro-5-methyl-
(±)-4-Methylbutyrolactone
4-Valerolactone
Dihydro-5-methyl-2(3H)-furanone
4,5-Dihydro-5-methyl-2(3H)-furanone
(±)-γ-Valerolactone
Valeric acid, 4-hydroxy-, γ-lactone
EINECS 203-569-5
Valerolactone
Pentanoic acid, 4-hydroxy-, γ-lactone
5-methyldihydrofuran-2(3H)-one
2(3H)-Furanone, dihydro-5-methyl-, (±)-
5-Methyldihydro-2(3H)-furanone
furan-2-one, 5-methyltetrahydro-
dihydro-5-methyl-2(3H)-furanone,
γ-Valerolactone
MFCD00005400

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
206.6±8.0 °C at 760 mmHg

[ Melting Point ]:
-31ºC

[ Molecular Formula ]:
C5H8O2

[ Molecular Weight ]:
100.12

[ Flash Point ]:
81.1±0.0 °C

[ Exact Mass ]:
100.052429

[ PSA ]:
26.30000

[ LogP ]:
-0.27

[ Vapour density ]:
3.45 (vs air)

[ Vapour Pressure ]:
0.2±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.431

[ Water Solubility ]:
MISCIBLE

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LU3580000
CHEMICAL NAME :
2(3H)-Furanone, dihydro-5-methyl-
CAS REGISTRY NUMBER :
108-29-2
BEILSTEIN REFERENCE NO. :
0080420
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C5-H8-O2
MOLECULAR WEIGHT :
100.13
WISWESSER LINE NOTATION :
T5O CVTJ E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8800 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
2480 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory stimulation
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1 gm/m3/7H/92D-I
TOXIC EFFECTS :
Related to Chronic Data - death

MUTATION DATA

TYPE OF TEST :
Sex chromosome loss and nondisjunction
TEST SYSTEM :
Yeast - Saccharomyces cerevisiae
DOSE/DURATION :
24400 ppm
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 201,431,1988

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36

[ Safety Phrases ]:
S26-S39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
LU3580000

[ Packaging Group ]:
I; II; III

[ HS Code ]:
29322980

Synthetic Route

Precursor & DownStream

Precursor

  • Methyl 4-oxopentanoate
  • Ethyl 4-oxopentanoate
  • Alpha-Angelica lactone
  • Levulinic acid
  • 1,4-Pentanediol
  • Glurate
  • 3-Buten-2-ol
  • carbon monoxide
  • Ethylene glycol
  • 4-Pentenoic acid

DownStream

  • N,N-diethyl-4-hydroxypentanamide
  • 3-(2,4-dimethylheptyl)-5-methyloxolan-2-one
  • 4,5,8-Trimethyl-3,4-dihydronaphthalene-1(2H)-one
  • 5-Nonanone
  • Nonane
  • (2R)-2-Methylpentanedioic acid
  • 3-ethyl-5-methyloxolan-2-one
  • 1,3-Epoxybutane
  • propene
  • ethene

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Related Compounds

  • α-METHYLENE-γ-VALEROLACTONE
  • Lithium γ-valerolactone enolate
  • α-allyl-α-allophanyl-γ-valerolactone
  • (3R,4R)-3,5-diacetoxy-γ-valerolactone
  • α-(diphenylmethylsilyl)-γ-valerolactone
  • α-methyl-α-phenylseleno-γ-valerolactone
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide