Acetaldehyde, phenyl-
Phenylacetaldehyde
CAS: 122-78-1
Molecular Formula: C8H8O
Acetaldehyde, phenyl- - Names and Identifiers
| Name | Phenylacetaldehyde |
| Synonyms | 2-Phenylethanal α-Toluylaldehyde Benzenacetaldehyde Natural Hyacinthin Phenylacetaldehyde Benzeneacetaldehyde Acetaldehyde, phenyl- Phenylacetaldehydetech Phenylacetaldehyde solution |
| CAS | 122-78-1 |
| EINECS | 204-574-5 |
| InChI | InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
Acetaldehyde, phenyl- - Physico-chemical Properties
| Molecular Formula | C8H8O |
| Molar Mass | 120.15 |
| Density | 1.079g/mLat 20°C |
| Melting Point | −10°C(lit.) |
| Boling Point | 195°C |
| Flash Point | 188°F |
| JECFA Number | 1002 |
| Water Solubility | 2.210 g/L (25 ºC) |
| Solubility | 2.21g/l slightly soluble |
| Vapor Presure | 2.09hPa at 20℃ |
| Appearance | Liquid |
| Specific Gravity | 1.075 (20/4℃) |
| Color | Clear colorless to pale yellow |
| Merck | 14,7265 |
| BRN | 385791 |
| Storage Condition | 2-8°C |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. |
| Sensitive | Air Sensitive |
| Refractive Index | n20/D 1.535(lit.) |
| MDL | MFCD00006993 |
| Physical and Chemical Properties | Colorless liquid. There is a strong aroma of the flower. Density 1.0272. Refractive index 1.507. Melting Point -10 °c. Boiling point 193-194 °c, refractive index 1.520-1.530(20 °c). Insoluble in water, miscible with ethanol and ether. Very lively nature, easy to polymerization. Can be oxidized to phenylacetic acid, can also be reduced to phenylethyl alcohol. Acetal can be condensed with alcohol, such as methanol, ethanol, etc. (can be used as a fragrance). |
| Use | For the perfumery industry |
Acetaldehyde, phenyl- - Risk and Safety
| Risk Codes | R22 - Harmful if swallowed R36/37/38 - Irritating to eyes, respiratory system and skin. R43 - May cause sensitization by skin contact R11 - Highly Flammable |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37 - Wear suitable gloves. S24 - Avoid contact with skin. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | UN 1170 3/PG 2 |
| WGK Germany | 2 |
| RTECS | CY1420000 |
| TSCA | Yes |
| HS Code | 29122990 |
| Toxicity | LD50 orl-rat: 1550 mg/kg FCTXAV 17,377,79 |
Acetaldehyde, phenyl- - Introduction
It has a strong fragrance of jade hairpin flowers. Insoluble in water, miscible with ethanol and ether. The nature is lively and easy to aggregate. It can be oxidized to phenylacetic acid or reduced to phenylethanol. It can be condensed with alcohol, such as methanol, ethanol, etc. to form acetal (can be used as a perfume). The nature is unstable, and the placement can polymerize and thicken.
Last Update：2022-10-16 17:12:50
Acetaldehyde, phenyl- - Reference Information
| FEMA | 2874 | PHENYLACETALDEHYDE |
| LogP | 1.44 at 25℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by aldehyde determination method (OT-6). The amount of sample taken is 1g. The equivalent factor (e) in the calculation is 60.08. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | ADI is not specified (FAO/WHO,1 994). LD50 1550mg/kg (rat, oral). GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 0.68; Cold drink 0.75; Candy 1.6; Baked food 2.0; Gum sugar 1.7~87. Moderate limit (FDA § 172.515,2000). |
| use | GB 2760-1996 stipulates that it is temporarily allowed to use edible spices. Mainly used to prepare bitter almond flavors, and also used in strawberry, raspberry, cherry, apricot and peach flavors. It is used in the spice industry and is an important raw material for preparing floral flavor It is mainly used in the formula of hyacinth, narcissus, daffodils, sweet bean flowers, etc., and a small amount is used in other floral types to give green head fragrance. It has the function of improving the aroma, such as white rose, lilac, magnolia, jasmine and other fragrance types, so that it has a clear fragrance. In the fragrance types of lily of the valley, rabbit ear grass, apple flower, sweet osmanthus, and lily, the fragrance is induced. In lily of the valley, rabbit ear grass flower, apple flower, osmanthus, locust, violet, honey fragrance and other flavors also have the effect of promoting aroma. It is also used in Jingyun Baihua and other flavors. Used in the spice industry. This product has the elegant aroma of daffodils and is one of the important spices for blending a variety of floral flavors. |
| production method | is dehydrogenated by heating phenylethanol to 350~400 ℃ under the catalysis of silver ions (this method is generally used). In the presence of formic acid, phenylacetic acid vapor is reduced by heating to 300~360 ℃ through manganese oxide or titanium dioxide catalyst. There can be a variety of preparation methods: phenylacetic acid catalytic reduction, β-phenylethanol catalytic oxidation, and the use of styrene, ethylene oxide, cinnamic acid and its esters as raw materials can be produced 2-Phenyl acetaldehyde. Industrial production is obtained by oxidizing β-phenylethanol with air under heating in the presence of copper. The reaction is exothermic, and side reactions such as the oxidation of phenylacetaldehyde to phenylacetic acid and the polymerization of phenylacetaldehyde occur at the same time. The content of aldehyde in the oxidation product is about 50%. The crude product is washed with water and distilled under reduced pressure to obtain the finished product. |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 1550 mg/kg; Oral-mouse LD50: 3890 mg/kg |
| stimulation data | skin-person 2%/48 hours moderate |
| flammability hazard characteristics | more flammable liquid; combustion produces stimulating smoke |
| storage and transportation characteristics | ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide, mist water |
Last Update：2024-04-09 02:00:06
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