122-97-4
3-Phenyl-1-propanol
CAS: 122-97-4
Molecular Formula: C9H12O
122-97-4 - Names and Identifiers
| Name | 3-Phenyl-1-propanol |
| Synonyms | 3-phenylpropan- 3-Phenylpropanol 3-Benzenepropanol 3-phenyl-1-propano 3-Phenyl-n-propanol 3-Phenyl-1-propanol Hydrocinnamyl alcohol 1-Propanol, 3-phenyl- 3-Phenylpropyl alcohol 3-Phenyl propyl alcohol (3-Hydroxypropyl)benzene 3- Phenylprophyl alcohol 1-Hydroxy-3-phenylpropane |
| CAS | 122-97-4 |
| EINECS | 204-587-6 |
| InChI | InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
122-97-4 - Physico-chemical Properties
| Molecular Formula | C9H12O |
| Molar Mass | 136.19 |
| Density | 1.001g/mLat 20°C(lit.) |
| Melting Point | −18°C(lit.) |
| Boling Point | 119-121°C12mm Hg(lit.) |
| Flash Point | 229°F |
| JECFA Number | 636 |
| Water Solubility | 10.3 g/L (20 ºC) |
| Solubility | 0.1g/l insoluble |
| Vapor Presure | 1.13-25Pa at 20-25℃ |
| Appearance | Transparent liquid |
| Color | Clear colorless |
| BRN | 1857542 |
| pKa | 15.04±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.526(lit.) |
| MDL | MFCD00002950 |
| Physical and Chemical Properties | Colorless viscous liquid. With a sweet floral aroma and sweet fruit flavor, diluted fresh and pleasant fruits. The boiling point is 236 ° C, and the flash point is 109 ° C. Soluble in ethanol, propylene glycol and most non-volatile oils, insoluble in glycerol and mineral oil, very slightly soluble in water (1:300). Natural products are found in strawberry, Suhe fragrant paste, repose fragrant paste, tea, Peru fragrant paste, cinnamon leaf oil, cinnamon oil, etc. |
| Use | Suitable for cholecystitis, cholangitis, cholelithiasis, biliary postoperative syndrome and hypercholesterolemia |
122-97-4 - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S37/39 - Wear suitable gloves and eye/face protection |
| WGK Germany | 1 |
| RTECS | UB8970000 |
| TSCA | Yes |
| HS Code | 29062900 |
122-97-4 - Reference
| Reference Show more | 1. Huang Qiurong, Su Guijiao, Liang Min, et al. Determination of 10 Phenyl Flavors in Cinnamaldehyde Bioconversion System by High Performance Liquid Chromatography [J]. Food Research and Development, 2020, 041(002):128-134. |
122-97-4 - Standard
Authoritative Data Verified Data
This product is 1-phenylpropanol. Containing C9H120 not less than 98.5%.
Last Update：2024-01-02 23:10:35
122-97-4 - Trait
Authoritative Data Verified Data
- This product is colorless to yellowish oily liquid; Aromatic.
- This product is highly soluble in methanol, ethanol or methane, and slightly soluble in water.
relative density
The relative density of this product (General 0601) is 0.992~0.996.
refractive index
The refractive index of this product (General 0622) is 1.517~1.522.
Last Update：2022-01-01 13:33:42
122-97-4 - Introduction
It's fruity. Slightly soluble in water, solubility: 10.3g/l water (20°C), soluble in methanol, benzene, cyclohexane and ethyl acetate.
Last Update：2022-10-16 17:12:50
122-97-4 - Differential diagnosis
Authoritative Data Verified Data
- take 10ml of nitric acid solution (1-2), put it in a test tube, add 5 drops of 5% potassium dichromate solution, shake well, and add 2 drops of this product. After shaking, the solution is light blue.
- take this product and add ethanol to make a solution containing 0401 mg per lml, according to ultraviolet-visible spectrophotometry (general rule), at 247nm, 252mn, 258nm and 264nm wavelength has the maximum absorption.
- The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 232).
Last Update：2022-01-01 13:33:43
122-97-4 - Exam
Authoritative Data Verified Data
The absorbance measured under the item (2) of the identification of phenylacetone, the ratio of the absorbance at 247mn to the absorbance at 258mn, shall not exceed 0.79.
Last Update：2022-01-01 13:33:43
122-97-4 - Content determination
Authoritative Data Verified Data
take about 0.8g of this product, precision weigh, precision add the newly prepared acetic anhydride-pyridine (1:4)5ml, attach the reflux condenser, place the water bath and heat for 1 hour, add 10ml of water, continue heating for 10 minutes, cool, wash the condenser tube and bottleneck with 10ml of butanol (neutral to phenolphthalein indicator solution), add 2 drops of phenolphthalein indicator solution, titration with sodium hydroxide titration solution (0.5mol/L), and the results of the titration with blank test correction. Each 1 ml of sodium hydroxide titration solution (0.5mol/L) corresponds to 68.10 mg of C9H120.
Last Update：2022-01-01 13:33:44
122-97-4 - Category
Authoritative Data Verified Data
choleretic drugs.
Last Update：2022-01-01 13:33:44
122-97-4 - Storage
Authoritative Data Verified Data
sealed storage.
Last Update：2022-01-01 13:33:44
122-97-4 - Phenylpropanols soft capsules
Authoritative Data Verified Data
This product contains phenylpropanol (C9H12O) should be 90.0% to 110.0% of the label.
trait
The content of this product is colorless to yellowish oily liquid; Fragrance.
identification
The contents of this product were taken and the same results were shown according to the tests (1) and (2) under the item of phenylpropanol.
examination
should comply with the relevant provisions under the capsule (General rule 0103).
Content determination
The contents under the item of loading amount difference were taken and measured according to the method under the item of phenylpropanol content measurement. The Δlm l sodium hydroxide titration solution (0.5mol/L) corresponds to 68.10 mg of C9H120.
category storage
Same as phenylpropanols.
specification
(1)0.lg (2)0.2g
Last Update：2022-01-01 13:33:45
122-97-4 - Reference Information
| FEMA | 2885 | 3-PHENYL-1-PROPANOL |
| LogP | 1.6-2.06 at 35℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Uses | 3-phenylpropanol is used as a reagent for the synthesis of dihydrocinnamylcilnidipine and is an effective aromatic bioconversion product. Used in the synthesis of spices and drugs. Pharmaceutical industry is the central skeletal muscle relaxant strong disc loose intermediate. The product has a sweet fragrance of flowers and sweet candied fruit fragrance, diluted with fresh and happy melon and fruit fragrance. Natural products exist in strawberries, mushroom balm, rest balm, tea, cinnamon leaf oil, etc. China's GB2760-86 regulations are temporarily allowed to use edible spices. GB 2760-1996 stipulates that it is temporarily allowed to use edible spices. Mainly used to prepare peach, apricot, plum, watermelon, plum, strawberry and walnut, hazel and other nut flavors. Used in the synthesis of spices and drugs. Pharmaceutical industry is the central skeletal muscle relaxant strong disc loose intermediate. The product has a sweet fragrance of flowers and sweet candied fruit fragrance, diluted with fresh and happy melon and fruit fragrance. Natural products exist in strawberries, mushroom balm, rest balm, tea, cinnamon leaf oil, etc. China's GB2760-86 regulations are temporarily allowed to use edible spices. suitable for cholecystitis, cholangitis, cholelithiasis, biliary tract postoperative syndrome and hypercholesterolemia, etc. used to synthesize spices and medicines. In the pharmaceutical industry, it is an intermediate of the central skeletal muscle relaxant strong tendons. As a preservative in cosmetics, 3-phenylpropanol has a natural fragrance for antibacterial properties against bacteria and mold. Therefore, it is used in combination with piperonal or pepper as a preservative for cosmetics. 3-phenylpropanol or its ester derivatives are used as the fragrance components of flowers, such as lilac, hyacinth, and also as a component of lily of the valley due to its aromatic vinegar odor characteristics. |
| content analysis | determined by total alcohol content determination method (OT-5). The sample amount taken is lg. The equivalent factor (f) in the calculation is 68.10. Or by gas chromatography (GT-10-4) with non-polar column method. |
| toxicity | GRAS(FEMA). LD502300mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 0.73; Cold drink 1.4; Candy 2.8; Baked food 3.3; Gum candy 4.3; Wine 5.0. Moderate limit (FDA § 172.515,2000). |
| production method | prepared by catalytic hydrogenation of ethyl cinnamate. The hydrogenation reaction was carried out in an autoclave with chromium-copper-barium catalyst at a temperature of 200 ℃ and a hydrogen pressure of about 20MPa. After 5-9h of hydrogenation reaction, the catalyst was cooled and filtered, and the filtrate was extracted with ether. After the ether is recovered from the extract, it is distilled under reduced pressure, and the 110-112 ℃(1.06kPa) fraction is collected, which is the finished product, and the yield is about 85%. Another preparation method is the Grignard reaction of benzyl chloride and ethylene oxide to obtain 3-phenylpropanol chloromagnesium salt, and then hydrolyze with sulfuric acid to obtain 3-phenylpropanol. The yield of this method is about 65-70%. It is made by hydrogenation of cinnamyl alcohol or cinnamaldehyde. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 15:16:47
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View History
122-97-4
88901-45-5
TETRAETHYLAMMONIUM HYDROGEN SULFATE FOR
Hydrocortisone Sodium Succinate
3,4-Dimethylanisole
C2H2-546 protein
UN 1397
CIS-2-PENTENE
sec-Butyl(phenyl) ether
RARECHEM AL BO 0471
88901-45-5
TETRAETHYLAMMONIUM HYDROGEN SULFATE FOR
Hydrocortisone Sodium Succinate
3,4-Dimethylanisole
C2H2-546 protein
UN 1397
CIS-2-PENTENE
sec-Butyl(phenyl) ether
RARECHEM AL BO 0471