CAS No.3076-63-9,TRILAURYL PHOSPHITE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	3076-63-9
Name:	TRILAURYL PHOSPHITE
Article Data:	5

Formula:	C₃₆H₇₅O₃P
Molecular Weight:	586.963
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;
EINECS:	221-356-5
Boiling Point:	505.4 °C at 760 mmHg
Flash Point:	324.5 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
Transport Information:	3082
PSA:	41.28000
LogP:	14.02580

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

Conditions	Yield
In hexane; toluene; acetonitrile	29%

...Expand

: 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

Conditions	Yield
In hexane	28%

...Expand

: 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

Total:32 Page 1 of 1 1

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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,