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ChemicalBook--->CAS DataBase List--->529-34-0

529-34-0

529-34-0 Structure

529-34-0 Structure
IdentificationMore
[Name]

1-Tetralone
[CAS]

529-34-0
[Synonyms]

1,2,3,4-TETRAHYDRO-1-NAPHTHALENONE
1-TETRALONE
3,4-DIHYDRO-1-(2H)NAPHTHALENEONE
3,4-DIHYDRO-1(2H)-NAPHTHALENONE
3,4-DIHYDRO-2H-NAPHTHALEN-1-ONE
ALPHA-TETRALONE
A-TETRALONE
KETOTETRAHYDRONAPHTHALENE
1(2H)-Naphthalenone
1,2,3,4-Tetrahydro-1-oxonaphthalene
1,2,3,4-Tetrahydronaphthalen-1-one
1-Oxo-1,2,3,4-tetrahydronaphthalene
1-Oxote-trahydronaphthalene
1-Oxotetralin
1-Tetrahydronathpalone
3,4-dihydro-1(2h)-naphthalenon
Tetralole
tetralone
1-Tetralone,97%
1(2H)-Naphthalenone, 3,4-dihydro-
[EINECS(EC#)]

208-460-6
[Molecular Formula]

C10H10O
[MDL Number]

MFCD00001688
[Molecular Weight]

146.19
[MOL File]

529-34-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear amber to brown oily liquid
[Melting point ]

2-7 °C(lit.)
[Boiling point ]

113-116 °C6 mm Hg(lit.)
[density ]

1.099 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.568(lit.)
[Fp ]

>230 °F
[storage temp. ]

2-8°C
[solubility ]

Chloroform, Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

brown
[Water Solubility ]

insoluble
[BRN ]

607374
[InChIKey]

XHLHPRDBBAGVEG-UHFFFAOYSA-N
[CAS DataBase Reference]

529-34-0(CAS DataBase Reference)
[NIST Chemistry Reference]

1(2H)-Naphthalenone, 3,4-dihydro-(529-34-0)
[EPA Substance Registry System]

529-34-0(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R20/22:Harmful by inhalation and if swallowed .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

QK4375000
[TSCA ]

Yes
[HS Code ]

29143900
[Hazardous Substances Data]

529-34-0(Hazardous Substances Data)
[Toxicity]

LD50 orally in Rabbit: 810 mg/kg LD50 dermal Rabbit > 2200 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Aluminum chloride-->Hydrogen fluoride-->Polyphosphoric acid-->Phosphorus pentoxide-->Tin tetrachloride-->Butyryl chloride-->Gamma Butyrolactone-->4-Phenylbutyric acid-->1,2,3,4-Tetrahydronaphthalene-->5-Ethyl-2-methylpyridine-->Chromic acetate-->1(2H)-Naphthalenone, 3,4-dihydro-, 2,2-dimethylhydrazone-->(4,4-Difluoro-3-buten-1-yl)benzene-->4-Phenylbutyryl chloride
[Preparation Products]

(S)-(-)-1,2,3,4-Tetrahedro-naphthoic acid-->γ-Hydroxybutyrophenone-->7-Hydroxy-1-tetralone-->2,3-Dihydro-1,4-naphthoquinone-->(S)-(+)-1,2,3,4-Tetrahydro-1-naphthol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1-Tetralone(529-34-0).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear amber to brown oily liquid
[Uses]

1-Tetralone is a reagent used in the synthesis of amino-pyrazolopyridines with anti-NF-κB and pro-apoptotic potential.
[Production Methods]

Intramolecular acylation of 4-phenylbutyric acid to 1,2,3,4-tetrahydronaphthalen-1-one (1-Tetralone).
1-Tetralone production
[Synthesis Reference(s)]

Tetrahedron Letters, 32, p. 4291, 1991 DOI: 10.1016/S0040-4039(00)92151-8
[Purification Methods]

Check the IR first. Purify α-tetralone by dissolving 20mL in Et2O (200mL), washing with H2O (100mL), 5% aqueous NaOH (100mL), H2O (100mL), 3% aqueous AcOH (100mL), 5% NaHCO3 (100mL) then H2O (100mL) and dry the ethereal layer over MgSO4. Filter, evaporate and fractionate the residue through a 6in Vigreux column (p 11) under reduced pressure to give a colourless oil (~17g) with b 90-91o/0.50.7mm. [Snyder & Werber Org Synth Coll Vol III 798 1955.] It has also been fractionated through a 0.5metre packed column with a heated jacket under reflux using a partial take-off head. It has max 247.5 and 290nm (hexane). The phenylhydrazone has m 83o. The 2,4,6-trinitrophenylhydrazone has m 247.5-248o (from EtOH). [Olson & Bader Org Synth Coll Vol IV 898 1963, Beilstein 7 H 370, 7 III 1416, 7 IV 1015.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-Tetralone(529-34-0)MS
1-Tetralone(529-34-0)1HNMR
1-Tetralone(529-34-0)13CNMR
1-Tetralone(529-34-0)IR1
1-Tetralone(529-34-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

alpha-Tetralone, 98%(529-34-0)
[Alfa Aesar]

1-Tetralone, 97%(529-34-0)
[Sigma Aldrich]

529-34-0(sigmaaldrich)
[TCI AMERICA]

alpha-Tetralone,>98.0%(GC)(529-34-0)
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