CAS No.7575-23-7,PENTAERYTHRITOL TETRA(3-MERCAPTOPROPIONATE) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	7575-23-7
Name:	PENTAERYTHRITOL TETRA(3-MERCAPTOPROPIONATE)
Article Data:	13

Formula:	C₁₇H₂₈O₈S₄
Molecular Weight:	488.669
Synonyms:	Propanoicacid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediylester (9CI);Propionic acid, 3-mercapto-, neopentanetetrayl ester (7CI,8CI);Pentaerythritol, tetrakis(3-mercaptopropionate) (8CI);4SH;Adeka EH 316;AdekaEH 317;Adeka Hardener EH 317;Epicure QX 40;JER Cure QX 40;Mercaptate Q 43ester;PEMP;PEMP 20P;PETP (polythiol);POS 405;PTMP(accelerator);Pentaerythritol mercaptopropionate;Pentaerythritoltetra(3-mercaptopropionate);Pentaerythritol tetra(mercaptopropionate);Pentaerythritol tetra(β-thiopropionate);Pentaerythritol tetra-β-mercaptopropionate;Pentaerythritoltetrakis(3-mercaptopropanoate);Pentaerythritol tetrakis(mercaptopropionate);Pentaerythritol tetrakis(β-mercaptopropionate);Pentaerythritol tetrakis(β-thiopropionate);Pentaerythrityl tetrakis(β-mercaptopropionate);Q 43;Q 43(polythiol);QX 40;Tetrakis(3-mercaptopropionate)pentaerythritol;ThiocurePETMP Low Odor;β-Mercaptopropionicacid tetraester with pentaerythritol;
EINECS:	231-472-8
Density:	1.288 g/cm³
Boiling Point:	519.931 °C at 760 mmHg
Flash Point:	502.065 °C
Solubility:	3.69mg/L at 20℃
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	260.40000
LogP:	1.42520

Synthetic route

: 115-77-5
Pentaerythritol

: 107-96-0
3-mercaptopropionic acid

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

Conditions

Conditions	Yield
With dmap; thionyl chloride In 1,2-dichloro-ethane at 80℃; for 2h; Reagent/catalyst; Solvent; Temperature;	98%
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20 - 40℃; Reagent/catalyst; Temperature;	88.81%
With toluene-4-sulfonic acid In toluene at 110℃;

: 115-77-5
Pentaerythritol

: 126-58-9
Dipentaerythritol

: 107-96-0
3-mercaptopropionic acid

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

Conditions

Conditions	Yield
toluene-4-sulfonic acid In water; toluene at 104 - 121℃; for 5h; Product distribution / selectivity; Heating / reflux;

...Expand

: 115-77-5
Pentaerythritol

: 107-96-0
3-mercaptopropionic acid

A: 7539-04-0
pentaerythritol tris(3-mercaptopropionate)

B: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

Conditions

Conditions	Yield
With toluene-4-sulfonic acid In toluene at 130℃; for 9h; Dean-Stark; Inert atmosphere;	A 79 %Chromat. B 20 %Chromat.

...Expand

: 115-77-5
Pentaerythritol

: 2935-90-2
Methyl 3-mercaptopropionate

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

Conditions

Conditions	Yield
With methanesulfonic acid at 80 - 85℃; for 6h; Temperature;	473 g

: 1195-92-2
Limonene oxide

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

: C57H92O12S4

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In chlorobenzene at 60℃; for 24h;	100%

: 541-59-3
maleiimide

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

: C33H40N4O16S4

Conditions

Conditions	Yield
In ethanol at 45℃; for 12h;	95%

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

: 1,2:3,4-di-O-isopropylidene-6-O-vinylsulfonyl-α-D-galactopyranose

: C73H116O40S8

Conditions

Conditions	Yield
With triethylamine; triphenylphosphine In dichloromethane; isopropyl alcohol at 20℃; for 48h; Michael Addition; Inert atmosphere;	93%

: 911390-20-0
3-methacryloyloxyphenyl isocyanate

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

: 1008528-96-8
C61H64N4O20S4

Conditions

Conditions	Yield
With dibutyltin dilaurate In dichloromethane for 7.75h;	90%

: 75-15-0
carbon disulfide

: 5445-17-0
Methyl 2-bromopropionate

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

: 1190289-66-7
pentaerythritol tetrakis(3-(S-(1-methoxycarbonylethyl)trithiocarbonyl)propionate)

Conditions

Conditions	Yield
Stage #1: carbon disulfide; pentaerythritol tetrakis(3-mercaptopropionate) With triethylamine In dichloromethane at 20℃; for 1h; Stage #2: Methyl 2-bromopropionate In dichloromethane	88%

...Expand

: 30674-80-7
2-Isocyanatoethyl methacrylate

: 7575-23-7
pentaerythritol tetrakis(3-mercaptopropionate)

: 1008528-95-7
C45H64N4O20S4

Conditions

Conditions	Yield
With dibutyltin dilaurate In toluene at 35℃; for 8h;	86%

Raw Materials

115-77-5

107-96-0

126-58-9

Total:98 Page 1 of 3 1 2 3 Next>>

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Specification

The Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester, with the CAS registry number 7575-23-7, is also known as Tetrakis(3-mercaptopropionate)pentaerythritol. It belongs to the product categories of Organic Building Blocks; Sulfur Compounds; Thiols/Mercaptans; Chain Transfer Agents; Polymer Additives; Polymer Science. Its EINECS registry number is 231-472-8. This chemical's molecular formula is C₁₇H₂₈O₈S₄ and molecular weight is 488.6594. What's more, its systematic name and its IUPAC name are the same which is called [3-(3-Sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl]3-sulfanylpropanoate. Additionally, it should be preserved hermetically and put in a cool, dry place.

Physical properties about Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester: (1)ACD/LogP: 2.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.821; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 82.046; (6)ACD/BCF (pH 7.4): 80.015; (7)ACD/KOC (pH 5.5): 815.931; (8)ACD/KOC (pH 7.4): 795.74; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 24; (12)Polar Surface Area: 260.4 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 119.458 cm³; (15)Molar Volume: 379.319 cm³; (16)Surface Tension: 50.253 dyne/cm; (17)Density: 1.288 g/cm³; (18)Flash Point: 502.065 °C; (19)Enthalpy of Vaporization: 79.28 kJ/mol; (20)Boiling Point: 519.931 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester: it is used to produce other chemicals. For example, it can react with Bromomethyl-benzene and Carbon disulfide to get 3-Benzylsulfanylthiocarbonylsulfanyl-propionic acid 3-(3-benzylsulfanylthiocarbonylsulfanyl-propionyloxy)-2,2-bis-(3-benzylsulfanylthiocarbonylsulfanyl-propionyloxymethyl)-propyl ester. The reaction occurs with reagent Et₃N and solvent CHCl₃at temperature of 20°C.

Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester can react with Bromomethyl-benzene and Carbon disulfide to get 3-Benzylsulfanylthiocarbonylsulfanyl-propionic acid 3-(3-benzylsulfanylthiocarbonylsulfanyl-propionyloxy)-2,2-bis-(3-benzylsulfanylthiocarbonylsulfanyl-propionyloxymethyl)-propyl ester

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C(CS)C(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
(2) InChI: InChI=1/C17H28O8S4/c18-13(1-5-26)22-9-17(10-23-14(19)2-6-27,11-24-15(20)3-7-28)12-25-16(21)4-8-29/h26-29H,1-12H2
(3) InChIKey: JOBBTVPTPXRUBP-UHFFFAOYAD