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Benzaldehyde dimethyl acetal

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Name

Benzaldehyde dimethyl acetal

EINECS 214-413-0
CAS No. 1125-88-8 Density 1 g/cm3
PSA 18.46000 LogP 1.97800
Solubility decomposes in water Melting Point 87-89 °C (18 mmHg)
Formula C9H12O2 Boiling Point 199.711 °C at 760 mmHg
Molecular Weight 152.193 Flash Point 69.444 °C
Transport Information UN 3271 Appearance Clear colorless liquid
Safety 23-24/25-37/39-36-26 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 1125-88-8 (Benzaldehyde dimethyl acetal) Hazard Symbols HarmfulXn
Synonyms

Benzaldehyde,dimethyl acetal (6CI,7CI,8CI);(Dimethoxymethyl)benzene;Dimethoxyphenylmethane;NSC 286137;Phenyldimethoxymethane;a,a-Dimethoxytoluene;a-Methoxybenzyl methyl ether;

Article Data 264

Benzaldehyde dimethyl acetal Synthetic route

100-52-7

benzaldehyde

149-73-5

trimethyl orthoformate

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With [Sc2(C4O4)3]n In tetrachloromethane at 60℃; for 1h;100%
With lithium tetrafluoroborate In methanol for 0.5h; Heating;100%
indium(III) triflate In dichloromethane at 20℃; for 0.0833333h;99%
67-56-1

methanol

100-52-7

benzaldehyde

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With trimethyl orthoformate at 20℃; for 0.5h;99%
With cobalt(II) 2-propyliminomethyl-phenolate functionalized mesoporous silica for 2h; Reflux;99%
With Zr6(µ3-O)4(µ3-OH)4(2,2-bis(trifluoromethyl)-4,4’-biphenyldicarboxylate)4[Cu(2,2'-bipyridine-5,5’-dicarboxylate)(MeCN)I](C6H3(NH-CO-C6H4-SO3H)(PhCOO)2) at 20℃; for 2h; Catalytic behavior; Reagent/catalyst;99%
67-56-1

methanol

23246-12-0

3,3,5-triphenyl-1,2,4-trioxolane

A

93-58-3

benzoic acid methyl ester

B

119-61-9

benzophenone

C

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With chlorosulfonic acid for 80h;A 75%
B 95%
C 25%
23246-12-0

3,3,5-triphenyl-1,2,4-trioxolane

A

93-58-3

benzoic acid methyl ester

B

119-61-9

benzophenone

C

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With chlorosulfonic acid In methanol for 80h;A 75%
B 95%
C 25%
67-56-1

methanol

108-88-3

toluene

A

93-58-3

benzoic acid methyl ester

B

1125-88-8

benzaldehyde dimethyl acetal

C

100-52-7

benzaldehyde

Conditions
ConditionsYield
With sodium perchlorate; Tris(2,4-dibromophenyl)amine In dichloromethane indirect electrochemical oxidation; Yields of byproduct given;A 95%
B n/a
C n/a
With lithium perchlorate direct electrochemical oxidation; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
67-56-1

methanol

4460-46-2

3-chloro-3-phenyl-3H-diazirine

A

98-87-3

benzylidene dichloride

B

1125-88-8

benzaldehyde dimethyl acetal

C

100-52-7

benzaldehyde

Conditions
ConditionsYield
at 80℃; for 6h; Mechanism; other 3-chloro-3-aryldiazirines;A n/a
B 95%
C 1%
at 80℃; for 6h;A n/a
B 95%
C 1%
1825-61-2

Methoxytrimethylsilane

100-52-7

benzaldehyde

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃; for 3h; Product distribution;94%
trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃; for 3h;94%
trimethylsilyl trifluoromethanesulfonate In dichloromethane at -78℃; for 3h;94%
In dichloromethane at -78℃; for 0.0833333h;
67-56-1

methanol

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With 2-Picolinic acid; ferrous(II) sulfate heptahydrate; dihydrogen peroxide at 20 - 60℃; for 12h; Schlenk technique; Molecular sieve;93%
With potassium trifluoroacetate at 55 - 60℃; electrochemical oxidation;42 % Spectr.
With tert.-butylhydroperoxide; C30H29ClN4ORu(2+)*2F6P(1-) at 50℃; Catalytic behavior; Kinetics; Reagent/catalyst; Schlenk technique; Molecular sieve;87 %Chromat.
With zinc indium sulfide; phenylmethanethiol for 15h; Irradiation;81 %Chromat.
67-56-1

methanol

873-66-5

1-propenylbenzene

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With 2-Picolinic acid; ferrous(II) sulfate heptahydrate; dihydrogen peroxide at 20 - 60℃; for 12h; Schlenk technique; Molecular sieve;93%
67-56-1

methanol

5721-88-0

2-phenyl-1,3-oxathiolane

1125-88-8

benzaldehyde dimethyl acetal

Conditions
ConditionsYield
With N-Bromosuccinimide at 20℃; for 0.166667h;92%

Benzaldehyde dimethyl acetal Chemical Properties

Molecular Formula: C9H12O2
Molar mass: 152.1904 g/mol
EINECS: 221-192-4
Density: 0.999 g/cm3
Flash Point: 69.4 °C
Index of Refraction: 1.488
Melting point: 87-89°C
Water solubility: Decomposes
Sensitive: Moisture Sensitive
Appearance: Clear colorless liquid
Boiling Point: 199.7 °C at 760 mmHg
Vapour Pressure: 0.476 mmHg at 25°C
Product categories: Biochemistry;Aromatic Ethers
Structure of Benzaldehyde dimethyl acetal (1125-88-8):
               
XLogP3-AA: 1.6
H-Bond Donor: 0
H-Bond Acceptor: 2
IUPAC Name: Dimethoxymethylbenzene
Canonical SMILES: COC(C1=CC=CC=C1)OC
InChI: InChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3 
InChIKey: HEVMDQBCAHEHDY-UHFFFAOYSA-N

Benzaldehyde dimethyl acetal Uses

 Benzaldehyde dimethyl acetal (1125-88-8) is used as reagent for oligosaccharide synthesis.

Benzaldehyde dimethyl acetal Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),711.
2.    

orl-rat LD50:1220 mg/kg

    FCTXAV    Food and Cosmetics Toxicology. 17 (1979),711.

Carcinogenicity of Benzaldehyde dimethyl acetal (1125-88-8) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. And its toxicological properties have not been fully investigated.You can see actual entry in RTECS for complete information.

Benzaldehyde dimethyl acetal Consensus Reports

Reported in EPA TSCA Inventory.

Benzaldehyde dimethyl acetal Safety Profile

Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Xn
Risk Statements:
22:  Harmful if swallowed 
36:  Irritating to the eyes
37:  Irritating to the respiratory system
38:  Irritating to the skin
Safety Statements:
23:  Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
24:  Avoid contact with skin
25:  Avoid contact with eyes
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36:  Wear suitable protective clothing 
37:  Wear suitable gloves
39:  Wear eye/face protection

Benzaldehyde dimethyl acetal Specification

 Benzaldehyde dimethyl acetal (1125-88-8) also can be called Alpha,alpha-dimethoxytoluene ; .Alpha.,.alpha.-Dimethoxytoluene ; (dimethoxymethyl)benzene ; Toluene, .alpha.,.alpha.-dimethoxy- ; benzene, (dimethoxymethyl)- .Its first aid measures and others should be known.Such as: When on the skin: should  flush skin with plenty of water immediatelyfor at least 15 minutes while removing contaminated clothing. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Then you have the ingesting of the product : Wash mouth out with water.
In addition, Benzaldehyde dimethyl acetal (1125-88-8) can be stable under normal temperature and pressure conditions.It is not compatible with strong oxidizing agents,moisture, and you must not take it with incompatible materials.And also prevent it to broken down into hazardous decomposition products: irritating and toxic fumes and gases,carbon dioxide,carbon monoxide.

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