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CAS No.: | 693-36-7 |
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Name: | Distearyl thiodipropionate |
Article Data: | 6 |
Molecular Structure: | |
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 |
Conditions | Yield |
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With sulfuric acid Heating; | 78% |
distearyl thiodipropionate
Conditions | Yield |
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With 2,6-diphenyl-4-stearoxyphenoxyl radical In benzene at 64.9℃; Rate constant; various concentrations; |
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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. |