CAS No.104-65-4,CINNAMYL FORMATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	104-65-4
Name:	CINNAMYL FORMATE
Article Data:	21

Formula:	C₁₀H₁₀O₂
Molecular Weight:	162.188
Synonyms:	2-Propen-1-ol,3-phenyl-, formate (9CI);Cinnamyl alcohol, formate (6CI,7CI,8CI);3-Phenyl-2-propen-1-ol formate;3-Phenyl-2-propen-1-yl formate;Cinnamyl methanoate;NSC 21737;g-Phenylallyl formate;
EINECS:	203-223-3
Density:	1.076 g/cm³
Boiling Point:	252 °C at 760 mmHg
Flash Point:	127.7 °C
Solubility:	725.1mg/L at 25℃
PSA:	26.30000
LogP:	2.50870

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The CAS registry number of Cinnamyl formate is 104-65-4. Its EINECS registry number is 203-223-3. The systematic name is 3-phenylprop-2-en-1-yl formate. In addition, the molecular formula is C₁₀H₁₀O₂ and the molecular weight is 162.19. What's more, it belongs to the product categories of Alphabetical Listings; C-D; Flavors and Fragrances. It should be stored in sealed container, and put in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 2.15; (2)ACD/LogD (pH 5.5): 2.15; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 25.25; (5)ACD/BCF (pH 7.4): 25.25; (6)ACD/KOC (pH 5.5): 351.02; (7)ACD/KOC (pH 7.4): 351.02; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 26.3 Å²; (11)Index of Refraction: 1.56; (12)Molar Refractivity: 48.7 cm³; (13)Molar Volume: 150.5 cm³; (14)Polarizability: 19.3×10^-24cm³; (15)Surface Tension: 39.9 dyne/cm; (16)Density: 1.076 g/cm³; (17)Flash Point: 127.7 °C; (18)Enthalpy of Vaporization: 48.93 kJ/mol; (19)Boiling Point: 252 °C at 760 mmHg; (20)Vapour Pressure: 0.0198 mmHg at 25°C.

Preparation of Cinnamyl formate: it can be prepared by cinnamic alcohol and methanoic acid through esterification reaction. In addition, it can be prepared by formic acid ethyl ester and 3-phenyl-prop-2-en-1-ol. This reaction is a kind of formylation reaction. This reaction will need reagent cerium(IV) triflate. The reaction time is 4 hours at reaction temperature of 20 °C. The yield is about 60%.

Cinnamyl formate is prepared by formic acid ethyl ester and 3-phenyl-prop-2-en-1-ol

Uses of Cinnamyl formate: it is used as a food flavour. And it can be used to get 3-phenyl-prop-2-en-1-ol. This reaction will need reagent HCl and solvent acetone. The reaction time is 15 minutes at reaction temperature of 20 °C. The yield is about 100%.

Cinnamyl formate can be used to get 3-phenyl-prop-2-en-1-ol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=COCC=Cc1ccccc1
(2)InChI: InChI=1/C10H10O2/c11-9-12-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2
(3)InChIKey: LBHJXKYRYCUGPD-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	2900mg/kg (2900mg/kg)		Food and Cosmetics Toxicology. Vol. 14, Pg. 719, 1976.