Products Categories
| CAS No.: | 103-54-8 |
|---|---|
| Name: | Cinnamyl acetate |
| Molecular Structure: | |
|
|
|
| Formula: | C11H12O2 |
| Molecular Weight: | 176.215 |
| Synonyms: | 2-Propen-1-ol,3-phenyl-, acetate (9CI);Cinnamyl alcohol, acetate (6CI,7CI,8CI);1-Acetoxy-3-phenyl-2-propene;3-Phenyl-2-propen-1-ol acetate;3-Phenyl-2-propen-1-yl acetate;3-Phenyl-2-propenyl acetate;3-Phenylallylacetate;Acetic acid 3-phenyl-2-propenyl ester;Acetic acid cinnamyl ester;NSC 46109;g-Phenylallyl acetate; |
| EINECS: | 203-121-9 |
| Density: | 1.054 g/cm3 |
| Melting Point: | 30 °C |
| Boiling Point: | 265 °C at 760 mmHg |
| Flash Point: | 130.5 °C |
| Solubility: | Immiscible with most non-volatile oil, insoluble in water |
| Appearance: | Colorless to yellow clear liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36 |
| Safety: | 26-37/39-24/25 |
| PSA: | 26.30000 |
| LogP: | 2.26290 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
What can I do for you?
Get Best Price
Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Cinnamyl acetate with CAS registry number of 103-54-8 is also known as 2-Propen-1-ol,3-phenyl-, 1-acetate. The IUPAC name is 3-Phenylprop-2-enyl acetate. It belongs to product categories of Alphabetical Listings; C-D; Flavors and Fragrances; C10 to C11; Carbonyl Compounds; Esters. Its EINECS registry number is 203-121-9. In addition, the formula is C11H12O2 and the molecular weight is 176.23. This chemical is a clear colorless to pale yellowish liquid that immiscible with most non-volatile oil and insoluble in water. It should be sealed in cool place without light. What's more, this chemical can be used as flavors and also used for preparation of soap or daily make-up flavor.
Physical properties about Cinnamyl acetate are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 57.53; (6)ACD/BCF (pH 7.4): 57.53; (7)ACD/KOC (pH 5.5): 632.88; (8)ACD/KOC (pH 7.4): 632.88; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.55; (12)Molar Refractivity: 53.18 cm3; (13)Molar Volume: 166.9 cm3; (14)Surface Tension: 38 dyne/cm; (15)Density: 1.055 g/cm3; (16)Flash Point: 130.5 °C; (17)Enthalpy of Vaporization: 50.29 kJ/mol; (18)Boiling Point: 265 °C at 760 mmHg; (19)Vapour Pressure: 0.0094 mmHg at 25 °C.
Preparation of Cinnamyl acetate: it is prepared by esterification reaction of cinnamyl alcohol and acetic acid. When the reaction is complete, product is obtained by neutralization, washing, drying and vacuum distillation.
Uses of Cinnamyl acetate: it is used to produce propenylbenzene. The reaction occurs with reagents tributyl tin hydride, Pd(PPh3)4 and solvent tetrahydrofuran. The yield is about 100%.
When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes. During using it, wear suitable gloves and eye/face protection. Avoid contact with skin and eyes. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(=O)OCC=CC1=CC=CC=C1
2. InChI: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3
3. InChIKey: WJSDHUCWMSHDCR-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | oral | 4750mg/kg (4750mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| mouse | LD50 | intraperitoneal | 1200mg/kg (1200mg/kg) | Pharmacologist. Vol. 3, Pg. 62, 1961. | |
| mouse | LD50 | oral | 4750mg/kg (4750mg/kg) | Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| rat | LD50 | oral | 3300mg/kg (3300mg/kg) | Food and Cosmetics Toxicology. Vol. 11, Pg. 1063, 1973. |