Name: Isoamyl cinnamate
SKU: 7779-65-9

Products Categories

Pharmaceutical (29)
Organic Chemicals (18)
Synthetic Flavours & Fragrances (8)
Others (6)
Reagent (2)
Plant Extract (2)
Food Additives (1)

Basic Information

Molecular Structure:
CAS No.:	7779-65-9
Name:	Isoamyl cinnamate
Article Data:	2

Formula:	C₁₄H₁₈O₂
Molecular Weight:	218.296
Synonyms:	Cinnamicacid, isopentyl ester (8CI);Isopentyl alcohol, cinnamate (8CI);Isopentyl 3-phenyl propenoate;3-Phenyl-2-propenoic acid 3-methylbutyl ester;Isopentyl beta-phenylacrylate;Cinnamic acid, isopentyl ester;3-Methylbutyl 3-phenyl-2-propenoate;
EINECS:	231-931-2
Density:	1.007 g/cm³
Boiling Point:	313.167 °C at 760 mmHg
Flash Point:	165.237 °C
Solubility:	soluble in water
Appearance:	pale yellow liquid with an iridescent sheen
PSA:	26.30000
LogP:	3.28910

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:60 Page 1 of 2 1 2 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 7779-65-9

Specification

The Isoamyl cinnamate, with the CAS registry number 7779-65-9, is also known as Isopentyl 3-phenyl propenoate. Its EINECS number is 231-931-2. This chemical's molecular formula is C₁₄H₁₈O₂and molecular weight is 218.29. What's more, its systematic name is 3-Methylbutyl 3-phenylacrylate. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants. It is used as synthetic perfume, and it is mainly used in food industry and daily necessities cosmetics industry. This substance can be prepared by esterification reaction between cinnamic acid and isoamylol, and it will need solvent sulfuric acid.

Physical properties of Isoamyl cinnamate are: (1)ACD/LogP: 4.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.34; (4)ACD/LogD (pH 7.4): 4.34; (5)ACD/BCF (pH 5.5): 1170.17; (6)ACD/BCF (pH 7.4): 1170.17; (7)ACD/KOC (pH 5.5): 5468.30; (8)ACD/KOC (pH 7.4): 5468.30; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 67.04 cm³; (15)Molar Volume: 216.802 cm³; (16)Polarizability: 26.577×10^-24cm³; (17)Surface Tension: 36.06 dyne/cm; (18)Density: 1.007 g/cm³; (19)Flash Point: 165.237 °C; (20)Enthalpy of Vaporization: 55.422 kJ/mol; (21)Boiling Point: 313.167 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCC(C)C)C=Cc1ccccc1
(2)Std. InChI: InChI=1S/C14H18O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3
(3)Std. InChIKey: JFHCDEYLWGVZMX-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rabbit	LD50	skin	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 709, 1975.
rat	LD50	oral	> 5gm/kg (5000mg/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 709, 1975.