Aipulimong chem

4-Heptanolide Flavor & Fragrance CAS NO. 105-21-5 C7H12O2 Isomers EINECS 03-279-9

CAS NO 105-21-5
Molecular formula C7H12O2 Isomers
Molecular Weight 128.16898

4-Heptanolide Flavor & Fragrance CAS NO. 105-21-5 C7H12O2 Isomers EINECS 03-279-9

CAS NO 121-33-5
Product Name Vanillin
Alias LioxinProtocatechualdehyde, methyl-2-Methoxy-4-formylphenolZimcoReference source: NegwerVanilinMFCD00006942EINECS 204-465-24-Hydroxy-3-methoxybenzaldehyde,Vanillic aldehydeVanillin cas:121-33-54-Formyl-2-methoxyphenol3-Methoxy-4-hydroxybenzaldehydeVANILLAVanillin (contains H2SO4) EthanolVanillin NATVANILLINE4-oxy-3-methoxybenzaldehydeVinillincompound no 11313-methoxy-4-hydroxy-benzaldehydeRhovanil3-Methoxy-4-hydroxybenzaldehyde (vanillin)4-Hydroxy-3-methoxybenzaldehydeFEMA 3107Vanillin Powder展开∨
Molecular formula C8H8O3 Isomers
Molecular Weight 152.14732
EINECS NO 204-465-2
IUPAC nominate 4-hydroxy-3-methoxybenzaldehyde
inchi InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
InChIkey MWOOGOJBHIARFG-UHFFFAOYSA-N
Canonical Smiles COC1=C(C=CC(=C1)C=O)O
Physicochemical Attribute
Density: 1.06
Melting point: 81-84 ℃
Boiling point: 170 ℃ (15 mmHg)
The refractive index: 1.555
Sparkle: 147 ℃
Vapor pressure: 0.00194 mmHg at 25 ° C
PSA: 46.53
LogP: 1.2133
Solubility: Methanol: 0.1? G/mL, the clear
Steam density: 5.3 (vs air)
Appearance: White or slightly yellow needle very much
Storage: Lined with polyethylene bags, jackets iron to packing. Store in a dry, ventilated warehouse.
Spontaneous combustion temperature: > 400 ° C
Chemical properties: Vanillin has strong and unique vanilla beans, naturally found in vanilla and clove oil, oil, oakmoss, balsam of Peru, and the rest of tolu balsam. Sulfite solution or red pulp softwood lignin sulfonate, under the alkaline conditions, reacted by high-pressure oxidation hydrolysis precipitation to get white to light yellow crystalline powder or acicular crystal. From petroleum ether precipitation can also generate tetragonal crystal. It has Aroma, Bitter sweet. In the air, it is gradually oxidized. In case of light, it generated decomposition. In case of alkali, it generated discoloration. The relative molecular mass is 152.15. The relative density is 1.056. melting point is different form tetragonal crystalline to another, tetragonal crystal is 81 to 83℃. Acicular crystal ranged from 77 to 79℃, the boiling point is 285℃ (in CO2 gas), 170℃ (2 x 103Pa), 162℃ (1.33 x 103Pa), 146 C (0.533 x 103Pa). It can generate sublimation without decomposition. The flash point is162 ℃. Slightly soluble in cold water, soluble in hot water, soluble in ethanol, ethyl ether, propylene Ketone, benzene, chloroform, carbon disulfide, glacial acetic acid, pyridine and volatile oil. Water and FeCl3 generate blue purple solution. For rats, by oral LD 50 1580mg/kg, mice is by percutaneous LD 50 1500mg/kg.Industrial production method is that eugenol in the presence of potassium hydroxide, produce to ISO eugenol, then reacted with acetic anhydride formation of isoeugenol acetate, followed by oxidation and hydrolysis reaction to produce. It is an important raw material for mixing chocolate, ice cream, chewing gum the pastry and tobacco flavor. It can also be used as cosmetics fragrance coordination agent and a flavor enhancer. It is also the pharmaceutical raw materials of industry.In recent years, it appeared a new fashion in the commodity of vanillin. Use oil of clove or basil oil provided out of eugenol as raw material, vanillin obtained by isomerization and oxidation, as it can be regarded as a natural equivalent quality, therefore it is called natural vanillin and into the spice market, its price is about 5 times that of the synthetic product.
Color: White to pale yellow
Break down: When heated to decomposition it emits acrid smoke and irritating fumes.
Heat of combustion: 914.1 kg CAL at 20 deg C
Bouquet: Sweetish smell
PH: Solutions are acid to litmus
Physical properties: White needle crystal. Fragrant smell. Water, soluble in 125 times as much as 20 times of ethylene glycol and 2 times of 95% ethanol, soluble in chloroform. White needle crystal. Fragrant smell.
Acidity coefficient (pka) : PKa 7.396 + / – 0.004 (H2OI = 0.00 t = 25.0 1.0 mm) (Reliable)
Solubility: Water, soluble in 125 times as much as 20 times of ethylene glycol and 2 times of 95% ethanol, soluble in chloroform.
Spectral characteristics: MAX ABSORPTION (ALCOHOL) : 279 – NM (LOG E = 4.01). 309 NM (LOG E = 4.02)
SADTLER REFERENCE NUMBER: 8703 (IR, PRISM)
MAX ABSORPTION (0.1 N HYDROCHLORIC ACID), 247 NM, 309 NM
IR: 2530 (Coblentz Society Spectral Collection)
UV: 3-153 (Organic Electronic Spectral Data, Phillips et al., John Wiley & Sons, New York)
NMR: 197 (Varian Associates, NMR Spectra Catalogue)
MASS: 905 (Atlas of MASS Spectral Data, John Wiley & Sons, New York)
NMR: 107 (Varian Associates, NMR Spectra Catalogue)
Stability: Stable. May discolour on exposure to light. Moisture – sensitive. Incompatible with strong oxidizing agents, perchloric acid.
Storage temperature: 2-8 ° C

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