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Phosphorous acid,tridodecyl ester

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Name

Phosphorous acid,tridodecyl ester

EINECS 221-356-5
CAS No. 3076-63-9 Density N/A
PSA 41.28000 LogP 14.02580
Solubility N/A Melting Point N/A
Formula C36H75O3P Boiling Point 505.4 °C at 760 mmHg
Molecular Weight 586.963 Flash Point 324.5 °C
Transport Information 3082 Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3076-63-9 (TRILAURYL PHOSPHITE) Hazard Symbols N/A
Synonyms

Dodecylphosphite ((C12H25O)3P) (6CI,7CI);Doverphos 53;Duraphos TLP;NSC 44603;P 2;P 2 (antioxidant);Phosclere T 312;Tri-n-dodecyl phosphite;Tridodecylphosphite;Trilauryl phosphite;Weston TLP;tridodecyl phosphite;phosphorous acid, tridodecyl ester;

Article Data 5

Phosphorous acid,tridodecyl ester Synthetic route

124029-68-1

N-octadecyl-α-heptadecylnitrone

4292-19-7

1-Iodododecane

3076-63-9

tridodecyl phosphite

didodecyl P-[1-(N-octadecyl-N-dodecyloxyamino)octadecyl]phosphonate

Conditions
ConditionsYield
In hexane; toluene; acetonitrile29%
77681-22-2, 3376-26-9, 85225-56-5

(Z)-N-benzylidenebenzylamine N-oxide

4292-19-7

1-Iodododecane

3076-63-9

tridodecyl phosphite

didodecyl P-[α-(N-benzyl-N-dodecyloxyamino)benzyl]phosphonate

Conditions
ConditionsYield
In hexane28%
3076-63-9

tridodecyl phosphite

2137-92-0

4-nitrophenyl thiocyanate

73520-87-3

p-nitrophenyl n-dodecyl thioether

3076-63-9

tridodecyl phosphite

didodecyl 2,6-di-tert-butyl-4-hydroxybenzylphosphonate

Phosphorous acid,tridodecyl ester Specification

The Phosphorous acid,tridodecyl ester, with the CAS registry number 3076-63-9 and EINECS registry number 221-356-5, has the systematic name and IUPAC name of tridodecyl phosphite. And the molecular formula of the chemical is C36H75O3P.

The characteristics of Phosphorous acid,tridodecyl ester are as followings: (1)ACD/LogP: 16.61; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 16.61; (4)ACD/LogD (pH 7.4): 16.61; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 36; (12)Polar Surface Area: 41.28 Å2; (13)Flash Point: 324.5 °C; (14)Enthalpy of Vaporization: 74.58 kJ/mol; (15)Boiling Point: 505.4 °C at 760 mmHg; (16)Vapour Pressure: 7.66E-10 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(OCCCCCCCCCCCC)OCCCCCCCCCCCC)CCCCCCCCCCCC
(2)InChI: InChI=1/C36H75O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
(3)InChIKey: IVIIAEVMQHEPAY-UHFFFAOYAT

The toxicity data is as follows:

Organism

Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 3160mg/kg (3160mg/kg)   National Technical Information Service. Vol. OTS0537044,

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