CAS No.100453-11-0,Ethyl 1-methylbutyl cyanoacetate Suppliers

Products Categories

Pharmaceutical (32)
Organic Chemicals (12)
Others (6)
Materials (2)
Reagent (1)

Basic Information

Molecular Structure:
CAS No.:	100453-11-0
Name:	Ethyl 1-methylbutyl cyanoacetate

Formula:	C₁₂H₂₁NO₂
Molecular Weight:	211.304
Synonyms:	2-Cyano-2-ethyl-3-methylhexanoic acid ethyl ester;
Density:	0.944 g/cm³
Boiling Point:	240.784 °C at 760 mmHg
Flash Point:	105.074 °C
Solubility:	33.54mg/L at 25℃
PSA:	50.09000
LogP:	2.90568

Raw Materials

1619-58-5

107-81-3

19823-28-0

105-56-6

75-03-6

Downstream Products

76-75-5

Total:43 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 100453-11-0

Specification

The Ethyl 1-methylbutyl cyanoacetate with the cas number 100453-11-0 is also called Hexanoic acid,2-cyano-2-ethyl-3-methyl-, ethyl ester. The systematic name is ethyl 2-cyano-2-ethyl-3-methyl-hexanoate. Its molecular formula is C₁₂H₂₁NO₂. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.196; (4)ACD/LogD (pH 7.4): 3.196; (5)ACD/BCF (pH 5.5): 158.013; (6)ACD/BCF (pH 7.4): 158.013; (7)ACD/KOC (pH 5.5): 1304.468; (8)ACD/KOC (pH 7.4): 1304.468; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 50.09 Å²; (13)Index of Refraction: 1.442; (14)Molar Refractivity: 59.256 cm³; (15)Molar Volume: 223.907 cm³; (16)Polarizability: 23.491×10^-24cm³; (17)Surface Tension: 32.613 dyne/cm; (18)Enthalpy of Vaporization: 47.771 kJ/mol; (19)Vapour Pressure: 0.037 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC(C)C(CC)(C#N)C(=O)OCC
(2)InChI: InChI=1/C12H21NO2/c1-5-8-10(4)12(6-2,9-13)11(14)15-7-3/h10H,5-8H2,1-4H3
(3)InChIKey: FOGOQVLUCORCHH-UHFFFAOYAZ