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Benzaldehyde dimethyl acetal

Benzaldehyde dimethyl acetal structure

CAS No:
1125-88-8
Formula:
C9H12O2
Chemical Name:
Benzaldehyde dimethyl acetal
Synonyms:
Benzene,(dimethoxymethyl)-;Benzaldehyde,dimethyl acetal;(Dimethoxymethyl)benzene;α,α-Dimethoxytoluene;Dimethoxyphenylmethane;Phenyldimethoxymethane;α-Methoxybenzyl methyl ether;NSC 286137;Benzaldehyde dimethyl acetal
Categories:
Cosmetic Ingredient > Perfuming

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Description

colourless liquid with a sweet, floral-almond odour

(Dimethoxymethyl)benzene is a benzyl ether.

Benzaldehyde dimethyl acetal Basic Attributes

Molecular Weight：

152.19000

Exact Mass：

152.19

EC Number：

214-413-0

UNII：

W6T83K35CA

NSC Number：

286137

DSSTox ID：

DTXSID5061538

HScode：

29110000

Characteristics

PSA：

18.46000

XLogP3：

1.6

Appearance：

colourless liquid with a sweet, floral-almond odour

Density：

1.0314 g/cm³ @ Temp: 20 °C

Melting Point：

87-89ºC

Boiling Point：

117-119 °C @ Press: 25 Torr

Flash Point：

69ºC

Refractive Index：

1.492-1.494

Water Solubility：

Decomposes in water

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool

Vapor Pressure：

0.476mmHg at 25°C

Safety Information

Transport codes：

UN 3271

wgk germany：

hazard class code：

R22; R36/37/38

safety instructions：

S23-S24/25

RTECS Number：

CU5774000

Marks：

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (99.68%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 317 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

alpha,alpha-dimethoxytoluene

Benzaldehyde dimethyl acetal Use and Manufacturing

Uses

Benzaldehyde Dimethyl Acetal is used as a reagent in the synthesis of a new class of cinnamyl-triazole compounds which can be used as selective inhibitors of human aromatase (cytochrome P 450 19A1).

Manufacturing Info：

Benzene, (dimethoxymethyl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:152.19
XLogP3:1.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:152.083729621
Monoisotopic Mass:152.083729621
Topological Polar Surface Area:18.5
Heavy Atom Count:11
Complexity:93.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl alcohol

Benzaldehyde

Toluene

Sodium methoxide

Trimethyl orthoformate

Iodobenzene diacetate

Ethanol

Methanol

Acetone

Trimethyl orthobenzoate

Hydrochloric acid

Dimethyl sulfate

Benzoyl chloride

Downstream Products

Benzyl chloride

Benzyl alcohol

Benzaldehyde

Methyl oleate

Benzyl benzoate

Dimethyl carbonate

Trimethyl orthobenzoate

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Guide of Benzaldehyde dimethyl acetal

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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Benzaldehyde dimethyl acetal

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