5-Butyldihydro-2(3H)-furanone

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Names

[ CAS No. ]:
104-50-7

[ Name ]:
5-Butyldihydro-2(3H)-furanone

[Synonym ]:
T5OVTJ E4
2(3H)-Furanone, 5-butyldihydro-
5-Butyldihydro-2(3H)-furanone
5-Butyldihydrofuran-2(3H)-one
γ-Octanoic lactone
Octano-1,4-lactone
4-Hydroxy octanoic acid
γ-Octalactone
γ-Octanolactone
EINECS 203-208-1
MFCD00005402

Chemical & Physical Properties

[ Density]:
1.0±0.1 g/cm3

[ Boiling Point ]:
239.1±8.0 °C at 760 mmHg

[ Molecular Formula ]:
C₈H₁₄O₂

[ Molecular Weight ]:
142.196

[ Flash Point ]:
91.9±15.9 °C

[ Exact Mass ]:
142.099380

[ PSA ]:
26.30000

[ LogP ]:
1.32

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.441

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LU3562000

CHEMICAL NAME :: 2(3H)-Furanone, dihydro-5-butyl-

CAS REGISTRY NUMBER :: 104-50-7

BEILSTEIN REFERENCE NO. :: 0111677

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C8-H14-O2

MOLECULAR WEIGHT :: 142.22

WISWESSER LINE NOTATION :: T5OVTJ E4

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,821,1976 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,821,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5114 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 1557 (estimated) No. of Female Employees: 276 (estimated)

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 ]:
R38

[ Safety Phrases ]:
S26-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
LU3562000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

1,4-Octanediol
(2'E)-5-(but-2'-enyl)tetrahydrofuran-2-one
1-hexene
Tributyl[(iodoacetyl)oxy]stannane
4-Ketopelargonic acid methyl ester
Bromoacetic acid
Octanoic acid
ethyl 4-hydroxyoctanoate

DownStream

Octanoic acid, 4-oxo-
Hept-1-ene
methyl 4-oxooctanoate
1,4-dichlorooctane
4-hydroxyoctanamide
4-hydroxy-N-methyloctanamide
3-butylcyclopent-2-en-1-one
1,4-Octanediol

Related Compounds

3-acetyl-5-butyldihydro-2(3h)-furanone
(3S,5S)-3-Amino-5-butyldihydro-2(3H)-furanone
(3S,5R)-3-Amino-5-butyldihydro-2(3H)-furanone
(3R,5R)-3-Amino-5-butyldihydro-2(3H)-furanone
(E)-Whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(+)-trans-Whiskeylactone
(Z)-whiskeylactone,5-butyldihydro-4-methyl-2(3H)-Furanone,(-)-cis-whiskeylactone
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-((6-(4-fluorophenyl)pyridazin-3-yl)oxy)ethyl)-[1,1'-biphenyl]-4-sulfonamide
4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide