2-Methyl-1-phenyl-2-propanol
2-Methyl-1-phenyl-2-propanol
CAS: 100-86-7
Molecular Formula: C10H14O
2-Methyl-1-phenyl-2-propanol - Names and Identifiers
| Name | 2-Methyl-1-phenyl-2-propanol |
| Synonyms | PHENYL-TERT-BUTANOL 2-Benzyl-2-propanol Dimethyl benzyl carbinol Benzyl dimethyl carbinol 3-Nitro-4-Methylbenzamide 2-methyl-1-phenylpropan-2-ol 1,1-DIMETHYL-2-PHENYLETHANOL 1-PHENYL-2-METHYL-2-PROPANOL 1,1-Dimethyl-2-Phenylethanol 2-Methyl-1-phenyl-2-propanol 2-METHYL-1-PHENYL-2-PROPANOL A,A-DIMETHYLPHENETHYL ALCOHOL 1,1-Dimethyl-2-phenylethyl alcohol 2-HYDROXY-2-METHYL-1-PHENYL PROPANE ALPHA,ALPHA-DIMETHYL PHENETHYL ALCOHOL alpha,alpha-Dimethyl-beta-phenylethyl alcohol ALPHA,ALPHA-DIMETHYL-BETA-PHENYLETHYL ALCOHOL |
| CAS | 100-86-7 |
| EINECS | 202-896-0 |
| InChI | InChI=1/C10H14O/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3 |
| InChIKey | RIWRBSMFKVOJMN-UHFFFAOYSA-N |
2-Methyl-1-phenyl-2-propanol - Physico-chemical Properties
| Molecular Formula | C10H14O |
| Molar Mass | 150.22 |
| Density | 0.974g/mLat 25°C(lit.) |
| Melting Point | 23-25°C(lit.) |
| Boling Point | 94-96°C10mm Hg(lit.) |
| Flash Point | 178°F |
| JECFA Number | 1653 |
| Water Solubility | Slightly soluble in water. |
| Solubility | Chloroform (Sparingly), DMSO (Sparingly, Heated) |
| Vapor Presure | 1hPa at 25℃ |
| Appearance | Low melting point solid |
| Color | Colourless |
| BRN | 1855608 |
| pKa | 15.31±0.29(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.514(lit.) |
| MDL | MFCD00004465 |
| Physical and Chemical Properties | White crystals with low melting point can be colorless to light yellow liquid in the supercooled state. With floral aroma and sweet vanilla flavor. The melting point of 24 deg C, boiling point 108 deg C (1466), flash point 92 deg C. Soluble in most non-volatile oils, mineral oil and propylene glycol, insoluble in glycerol and water. |
| Use | For the deployment of a variety of cosmetics, soap and food flavors |
2-Methyl-1-phenyl-2-propanol - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | 22 - Harmful if swallowed |
| Safety Description | S23 - Do not breathe vapour. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 2 |
| RTECS | SG8050000 |
| TSCA | Yes |
| HS Code | 29062900 |
| Toxicity | The acute oral LD50 in rats was reported as 1.35 g/kg (1.02-1.68 g/kg) (Moreno, 1973). The acute dermal LD50 in rabbits was reported as > 5 g/kg (Moreno, 1973). |
2-Methyl-1-phenyl-2-propanol - Reference Information
| FEMA | 2393 | ALPHA,ALPHA-DIMETHYLPHENETHYL ALCOHOL |
| LogP | 1.87 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 | take 10 ml of sample and perform acetylation according to the "content analysis" method in "linalool (03638). 1.5g of the acetylated oil was taken and determined according to method 1 in ester determination method (OT-18). The phenol content of dimethylbenzyl alcohol (C10H14O) in the sample is calculated according to the formula in linalool, and the equivalent factor (e) is changed from 7.707 to 7.511. It should be determined by non-polar column method in GT-10-4. |
| toxicity | GRAS(FEMA). LD50 1280mg/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drink 3.3; Cold drink 3.2; Candy 40; Baked food 4.9; Pudding 0.01; Gum candy |
| use | GB 2760-96 specifies edible spices allowed to be used. Mainly used to prepare vanilla and fruit flavors. It is used to prepare a variety of makeup, soap and edible flavors It has fresh fragrance and can be used well in lilacs. It can also be used in lily of the valley, orange blossom, rose, narcissus, jasmine and other floral types, as well as floral and heavy-duty floral types, which can increase the fragrance of flowers. It can also be used in a small amount of edible essence formula, such as coffee, raw pear, green pepper, round currant, etc. this product is used to prepare floral flavors, such as lily, narcissus, vegetarian fragrance, lily of the valley and other high-grade floral flavors. Its acetate has a fresh fragrance, which doubles its value. It is often used in hyacinth, lily, jasmine and other floral flavors. used to prepare a variety of makeup, soap and food flavors 2-methyl -1-phenyl -2-propanol is used to prepare floral flavors, such as lily; Narcissus; vegetarian; lily of the valley and other high-grade floral flavors. Its acetate has a fresh fragrance, which doubles its value. It is often used in hyacinth; lily; jasmine and other floral flavors. |
| Production method | It is made from benzyl magnesium bromide and acetone by Grignstell reaction. It is obtained by the addition reaction of acetone and benzyl magnesium chloride or benzyl magnesium bromide, and then distilled under reduced pressure after hydrolysis. |
Last Update：2024-04-09 19:55:45
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