CAS No.103-54-8,Cinnamyl acetate Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	103-54-8
Name:	Cinnamyl acetate
Article Data:	162

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

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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%.

Cinnamyl acetate is used to produce propenylbenzene.

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)	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.