Name | alpha-(trichloromethyl)benzyl acetate |
Synonyms | Rosalin ROSALIN rose acetate ROSE CRYSTALS -(Trichloromethyl)benzylacetate a-(Trichloromethyl)-benzyl acetate 2,2,2-trichloro-1-phenylethyl acetate ALPHA-(TRICHLOROMETHYL)BENZYL ACETATE alpha-(trichloromethyl)benzyl acetate TRICHLOROMETHYL PHENYL CARBINYL ACETATE aceticacid,alpha-(trichloromethyl)benzylester Acetic acid, alpha-(trichloromethyl)benzyl ester |
CAS | 90-17-5 |
EINECS | 201-972-0 |
InChI | InChI=1/C10H9Cl3O2/c1-7(14)15-9(10(11,12)13)8-5-3-2-4-6-8/h2-6,9H,1H3 |
Molecular Formula | C10H9Cl3O2 |
Molar Mass | 267.53 |
Density | 1.3807 (estimate) |
Melting Point | 86-89°C(lit.) |
Boling Point | 282°C(lit.) |
Water Solubility | 16.56mg/L at 25℃ |
Solubility | 28.72g/L in organic solvents at 20 ℃ |
Vapor Presure | 0.13Pa at 25℃ |
Appearance | powder to crystal |
Color | White to Almost white |
pKa | 0.003[at 20 ℃] |
Storage Condition | Room Temprature |
Stability | Stable. Incompatible with strong oxidizing agents. |
Physical and Chemical Properties | White or colorless crystals. Boiling point 280-282 ℃, melting point 86-88 ℃, flash point> 100 ℃, soluble in all oily spices. It has a rose-like sweet fragrance with some blue and bitter air, some pink and cream fragrance, and the aroma is longer. |
Use | For the preparation of rose, leaf-like cosmetics and soap flavor |
WGK Germany | 2 |
RTECS | AJ8375000 |
Toxicity | LD50 orl-rat: 6800 mg/kg FCTXAV 13,681,75 |
Raw Materials | Benzene Aluminum chloride Chloral |
LogP | 3.535 at 25℃ |
NIST chemical information | information provided by: webbook.nist.gov (external link) |
EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
Use | can be used as a fixative and is widely used in flavor formulations. Especially in the Rose, leaf type essence, more suitable for soap, bath salt and powder essence. The dosage is usually from 2% to 4%. It is used as a fixative for soap essence, and is suitable for soap and cosmetic blending Essence. It can be used as a co-dispenser in the formula, and also has excellent fixative effect. used for the preparation of rose, geranium cosmetic and soap flavor |
production method | powdered caustic potassium was slowly added to the mixture of benzaldehyde and chloroform ether, stirred and cooled, and then left to stand for 24h, then fractional distillation under reduced pressure, 145-160 deg C (3.33kPa) fractions were collected to obtain trichloromethylbenzyl alcohol, and then heated with acetyl chloride reflux 5h, and then distillation to obtain the finished product. |