Diethyl [4-(ethoxycarbonyl)butyl]phosphonate supplier

Name
DIETHYL[4-(ETHOXYCARBONYL)BUTYL]PHOSPHONATE
EINECS
CAS No. 2323-74-2
Density 1.063 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₃O₅P
Boiling Point 333.2 °C at 760 mmHg
Molecular Weight 266.274
Flash Point 169.1 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms Valericacid, 5-phosphono-, triethyl ester (7CI,8CI);Diethyl4-(ethoxycarbonyl)butylphosphonate;Triethylphosphonopentanoate;ethyl 5-(diethoxyphosphoryl)pentanoate;pentanoic acid, 5-(diethoxyphosphinyl)-, ethyl ester;
PSA 71.64000
LogP 2.98590

Diethyl [4-(ethoxycarbonyl)butyl]phosphonate Specification

The Diethyl [4-(ethoxycarbonyl)butyl]phosphonate, with the CAS registry number 2323-74-2, has the systematic name of ethyl 5-(diethoxyphosphoryl)pentanoate. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₁H₂₃O₅P.

The characteristics of Diethyl [4-(ethoxycarbonyl)butyl]phosphonate are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.75; (6)ACD/BCF (pH 7.4): 9.75; (7)ACD/KOC (pH 5.5): 177.6; (8)ACD/KOC (pH 7.4): 177.6; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 71.64 Å²; (13)Index of Refraction: 1.433; (14)Molar Refractivity: 65.14 cm³; (15)Molar Volume: 250.4 cm³; (16)Polarizability: 25.82×10^-24cm³; (17)Surface Tension: 34.2 dyne/cm; (18)Density: 1.063 g/cm³; (19)Flash Point: 169.1 °C; (20)Enthalpy of Vaporization: 57.61 kJ/mol; (21)Boiling Point: 333.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000138 mmHg at 25°C.

You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=P(OCC)(OCC)CCCCC(=O)OCC
(2)InChI: InChI=1/C11H23O5P/c1-4-14-11(12)9-7-8-10-17(13,15-5-2)16-6-3/h4-10H2,1-3H3
(3)InChIKey: BUDJSZHTNJUBIM-UHFFFAOYAI

Product Name

DIETHYL[4-(ETHOXYCARBONYL)BUTYL]PHOSPHONATE

Diethyl [4-(ethoxycarbonyl)butyl]phosphonate Specification

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