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Distearyl thiodipropionate

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Name

Distearyl thiodipropionate

EINECS 211-750-5
CAS No. 693-36-7 Density 0.919 g/cm3
PSA 77.90000 LogP 14.10920
Solubility N/A Melting Point 65-67 °C
Formula C42H82O4S Boiling Point 704.8 °C at 760 mmHg
Molecular Weight 683.177 Flash Point 323.7 °C
Transport Information N/A Appearance White crystalline powder
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 693-36-7 (Distearyl thiodipropionate) Hazard Symbols N/A
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;

Article Data 6

Distearyl thiodipropionate Synthetic route

111-17-1

4-thiaheptane-1,7-dioic acid

112-92-5

1-octadecanol

693-36-7

distearyl thiodipropionate

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

Distearyl thiodipropionate Consensus Reports

Reported in EPA TSCA Inventory.

Distearyl thiodipropionate 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) Effect 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.

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