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1-Tetralone

1-Tetralone structure

CAS No:
529-34-0
Formula:
C10H10O
Chemical Name:
1-Tetralone
Synonyms:
1(2H)-Naphthalenone,3,4-dihydro-;3,4-Dihydro-1(2H)-naphthalenone;α-Tetralone;1-Tetralone;1,2,3,4-Tetrahydronaphthalen-1-one;3,4-Dihydro-2H-naphthalen-1-one;1-Oxotetralin;1,2,3,4-Tetrahydro-1-oxonaphthalene;1-Oxo-1,2,3,4-tetrahydronaphthalene;NSC 5171;3,4-Dihydronaphthalen-1(2H)-one;Benzocyclohexan-1-one;3,4-Dihydronaphthalen-1-one
Categories:
Chemical Reagents > Organic Reagents

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Description

Clear amber to brown oily liquid

1-Tetralone Basic Attributes

Molecular Weight：

146.19

Exact Mass：

146.19

BRN：

607374

EC Number：

208-460-6

UNII：

6VT52A15HY

NSC Number：

5171

DSSTox ID：

DTXSID2027175

Color/Form：

LIQUID

HScode：

29143900

Characteristics

PSA：

17.1

XLogP3：

Appearance：

brown Liquid

Density：

1.0988 g/cm³ @ Temp: 16 °C

Melting Point：

8 °C

Boiling Point：

255-257 °C @ Press: 760 Torr

Flash Point：

>230 °F

Refractive Index：

1.564

Water Solubility：

H2O: insoluble

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.02 MM HG @ 20 DEG C

Toxicity：

LD50 orally in Rabbit: 810 mg/kg LD50 dermal Rabbit > 2200 mg/kg

Safety Information

Packing level：

I; II; III

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-20/22-20/21/22

safety instructions：

23-24/25-36

RTECS Number：

QK4375000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

1-Tetralone Use and Manufacturing

Methods of Manufacturing

There are multiple process routes. 1. There are many types of catalysts and oxidants that can be used in the tetralin oxidation method. The method suitable for large-scale industrial production is to use a composite catalyst of chromium acetate and 2-methyl-5-ethylpyridine, air as the oxidant, and atmospheric pressure. Continuous liquid phase oxidation, reaction temperature 130℃, molar ratio of tetralin to oxygen is 1:0.6, residence time 60-70min, single pass conversion of tetralin can reach more than 20%, the choice to produce 1-tetralinone The rate is about 90%, and the main by-product is tetralinol. The product can obtain 98% tetralone by vacuum fractionation. 2. Gamma-butyrolactone is obtained by condensation with benzene. The thiophene-free benzene should be used as the raw material, and the yield can reach 91%-96%. 3. γ-phenylbutyric acid cyclization method γ-phenylbutyric acid is cyclized at 90°C under the action of phosphoric acid/phosphoric anhydride, polyphosphoric acid, hydrofluoric acid or concentrated sulfuric acid to obtain 1-tetralone with a yield of 75 -86%. 4. γ-phenylbutyryl chloride cyclization method in the presence of anhydrous aluminum trichloride or anhydrous tin tetrachloride dehydrochlorination cyclization to get this product.

Uses

It is mainly used in the manufacture of menadol by dehydrogenation; the intermediate used in the pharmaceutical industry for the synthesis of 18-methyl norethisterone (contraceptive) and rodenticide, and also an important intermediate for the synthesis of benazepril. In addition, it can also be used as a softener for solvents and plastics, and its chloride has an insecticidal effect.

Manufacturing Info：

1(2H)-Naphthalenone, 3,4-dihydro-: ACTIVE

Computed Properties

Molecular Weight:146.19
XLogP3:2
Hydrogen Bond Acceptor Count:1
Exact Mass:146.073164938
Monoisotopic Mass:146.073164938
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium benzoate

Hydrofluoric acid

Polyphosphoric acids

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