CAS No.693-36-7,Distearyl thiodipropionate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	693-36-7
Name:	Distearyl thiodipropionate
Article Data:	6

Formula:	C₄₂H₈₂O₄S
Molecular Weight:	683.177
Synonyms:	Propanoicacid, 3,3'-thiobis-, dioctadecyl ester (9CI);Propionic acid, 3,3'-thiodi-,dioctadecyl ester (6CI,8CI);Advastab 802;Advastab PS 802;Antiox S;Antioxidant 802;Carstab DSTDP;Cyanox STDP;DSTDP;DSTP;DSTP Yoshitomi;Dioctadecyl 3,3'-thiodipropionate;Dioctadecylthiodipropionate;Distearyl b,b'-thiodipropionate;Distearyl-3,3-thiodipropionate;Evanstab 18;Hostanox SE 2;Hostanox SE 4;Irganox PS 802;Lowinox DSTDP;NSC 65493;NegonoxDSTP;PS 802;PS 802FL;Plastanox STDP;Plastanox STDP Antioxidant;Stearyl 3,3'-thiodipropionate;Thio 1;YoshinoxDSTDP;Yoshinox DSTP;DATP;
EINECS:	211-750-5
Density:	0.919 g/cm³
Melting Point:	65-67 °C
Boiling Point:	704.8 °C at 760 mmHg
Flash Point:	323.7 °C
Appearance:	White crystalline powder
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	77.90000
LogP:	14.10920

Synthetic route

: 111-17-1
4-thiaheptane-1,7-dioic acid

: 112-92-5
1-octadecanol

: 693-36-7
distearyl thiodipropionate

Conditions

Conditions	Yield
With sulfuric acid Heating;	78%

: 693-36-7
distearyl thiodipropionate

2,6-diphenyl-4-stearoxyphenol, DSTDP RADICAL: 2,6-diphenyl-4-stearoxyphenol, DSTDP RADICAL

Conditions

Conditions	Yield
With 2,6-diphenyl-4-stearoxyphenoxyl radical In benzene at 64.9℃; Rate constant; various concentrations;

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Distearyl thiodipropionate, with the CAS registry number 693-36-7 and EINECS registry number 211-750-5, has the IUPAC name of octadecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate. It is also known as DSTP. And the molecular formula of the chemical is C₄₂H₈₂O₄S. Wha's more, it is always used as auxiliary antioxidizer of polypropylene, polyethylene, synthetic rubber, etc.

The physical properties of Distearyl thiodipropionate are as followings: (1)ACD/LogP: 19.26; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 19.26; (4)ACD/LogD (pH 7.4): 19.26; (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: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 42; (12)Polar Surface Area: 77.9 Å²; (13)Index of Refraction: 1.472; (14)Molar Refractivity: 208.17 cm³; (15)Molar Volume: 742.7 cm³; (16)Polarizability: 82.52×10^-24cm³; (17)Surface Tension: 34.7 dyne/cm; (18)Density: 0.919 g/cm³; (19)Flash Point: 323.7 °C; (20)Enthalpy of Vaporization: 103.13 kJ/mol; (21)Boiling Point: 704.8 °C at 760 mmHg; (22)Vapour Pressure: 1.03E-19 mmHg at 25°C.

Preparation: This chemical can be prepared by 3,3'-sulfanediyl-bis-propionic acid and octadecan-1-ol. The reaction will need reagent conc. sulphuric acid.

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.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCCCCCCCCCCC)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C42H82O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37-45-41(43)35-39-47-40-36-42(44)46-38-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3
(3)InChIKey: PWWSSIYVTQUJQQ-UHFFFAOYAP

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)	Advances in Food Research. Vol. 3, Pg. 197, 1951.
mouse	LD50	oral	> 2gm/kg (2000mg/kg)	Advances in Food Research. Vol. 3, Pg. 197, 1951.
rat	LD50	oral	> 2500mg/kg (2500mg/kg)	Advances in Food Research. Vol. 3, Pg. 197, 1951.