3,4-Dimethoxybenzaldehyde
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3,4-Dimethoxybenzaldehyde
structure -
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CAS No:
120-14-9
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Formula:
C9H10O3
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Chemical Name:
3,4-Dimethoxybenzaldehyde
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Synonyms:
Benzaldehyde,3,4-dimethoxy-;Veratraldehyde;3,4-Dimethoxybenzaldehyde;3,4-Dimethoxybenzenecarbonal;Protocatechualdehyde dimethyl ether;Protocatechuic aldehyde dimethyl ether;Vanillin methyl ether;Veratric aldehyde;Veratral;Veratryl aldehyde;Methylvanillin;4-O-Methylvanillin;Veratrum aldehyde;NSC 24521;NSC 8500;3,4-Dimethoxyphenylaldehyde
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CAS No:
Description
off-white crystalline solid Veratraldehyde is a crystalline solid (mp 44.5–45°C) with a woody, vanillalike odor. Veratraldehyde can be prepared by methylation of vanillin. It is used in oriental and warm, woody fragrances, as well as in flavor compositions for vanilla notes. It is an intermediate in, for example, the synthesis of pharmaceuticals. Veratraldehyde has a very sweet, woody, vanilla-like odor with a warm, sweet, vanilla-like taste. This compound gets oxidized in air to odor.
Veratraldehyde appears as needles or chunky light peach powder. Has an odor of vanilla beans. (NTP, 1992)|Solid|white crystalline solid
Veratraldehyde appears as needles or chunky light peach powder. Has an odor of vanilla beans. (NTP, 1992)|Veratraldehyde is a dimethoxybenzene that is benzaldehyde substituted by methoxy groups at positions 3 and 4. It is found in peppermint, ginger, raspberry, and other fruits. It has a role as an antifungal agent. It is a member of benzaldehydes and a dimethoxybenzene.
3,4-Dimethoxybenzaldehyde Basic Attributes
166.17400
166.17
204-373-2
UI88P68JZD
24521|8500
DTXSID7026285
2912499000
Characteristics
35.53000
1.5
Veratraldehyde appears as needles or chunky light peach powder. Has an odor of vanilla beans. (NTP, 1992)
1.114 g/cm3
43 °C
281 °C
>230 °F
1.534
alcohol: freely soluble ;H2O: 6.32 mg/mL at 25 °C
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.00366mmHg at 25°C
LD50 orally in Rabbit: 2000 mg/kg LD50 dermal Rabbit > 5000 mg/kg
Insoluble in water.
Aldehydes
VERATRALDEHYDE is incompatible with strong oxidizing agents and strong bases. (NTP, 1992). VERATRALDEHYDE is an aldehyde. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction).
Safety Information
I; II; III
NONH for all modes of transport
3
R22; R36/37/38
S22
YX5088000
Xn
Stable. Incompatible with strong bases, strong oxidizing agents.
P305 + P351 + P338
H302-H315-H319
This compound is probably combustible. (NTP, 1992)
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1749 companies from 11 notifications to the ECHA C&L Inventory.|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501
Fires involving this compound may be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with 60-70% ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with 60-70% ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with 60-70% ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
Drug Information
SYMPTOMS: Exposure to this compound may cause skin, eye, mucous membrane or upper respiratory tract irritation. ACUTE/CHRONIC HAZARDS: This compound is a skin, eye, mucous membrane and upper respiratory tract irritant. When heated to decomposition it emits toxic fumes. (NTP, 1992)
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
3,4-dimethoxybenzaldehyde
3,4-Dimethoxybenzaldehyde Use and Manufacturing
Veratraldehyde is an organic compound that is widely used as a flavorant and odorant. The compound is structurally related to benzaldehyde.This compound is popular commercially because of its pleasant woody fragrance. It is derivative of vanillin, from which it is prepared by methylation.
Benzaldehyde, 3,4-dimethoxy-: ACTIVE
Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index
Flavoring Agents
Computed Properties
Molecular Weight:166.17
XLogP3:1.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:166.062994177
Monoisotopic Mass:166.062994177
Topological Polar Surface Area:35.5
Heavy Atom Count:12
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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