Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester supplier

Name
PENTAERYTHRITOL TETRA(3-MERCAPTOPROPIONATE)
EINECS 231-472-8
CAS No. 7575-23-7
Article Data13
CAS DataBase
Density 1.288 g/cm³
Solubility 3.69mg/L at 20℃
Melting Point
Formula C₁₇H₂₈O₈S₄
Boiling Point 519.931 °C at 760 mmHg
Molecular Weight 488.669
Flash Point 502.065 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
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%

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

: C61H90N7O14(1+)*2F6P(1-)*H(1+)

: C78H118N7O22S4(1+)*2F6P(1-)*H(1+)

Conditions

Conditions	Yield
In acetonitrile for 1h; UV-irradiation;	79.2%

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

: C63H92N7O15(1+)*F6P(1-)

: C80H120N7O23S4(1+)*F6P(1-)

Conditions

Conditions	Yield
In acetonitrile for 1h; UV-irradiation;	74.3%

: 75-15-0
carbon disulfide

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

: 100-39-0
benzyl bromide

: 303040-80-4
pentaerythritol tetrakis(3-(S-benzyltrithiocarbonyl)propionate)

Conditions

Conditions	Yield
Stage #1: carbon disulfide; pentaerythritol tetrakis(3-mercaptopropionate) With triethylamine In chloroform at 20℃; for 1h; Stage #2: benzyl bromide In chloroform for 2h;	73%
Stage #1: carbon disulfide; pentaerythritol tetrakis(3-mercaptopropionate) With potassium phosphate In tetrahydrofuran for 0.5h; Stage #2: benzyl bromide In tetrahydrofuran for 24h;	62%
With triethylamine In chloroform at 20℃;

...Expand

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

: (2R,3R,4R,5R,6S)-non-8-ene-1,2,3,4,5,6-hexaol

: 2,2-bis(((3-(((4S,5R,6R,7R,8R)-4,5,6,7,8,9 hexahydroxynonyl)thio)propanoyl)oxy)methyl)propane-1,3-diylbis(3-(((4S,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxynonyl)thio)propanoate)

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone In methanol; water for 1h; UV-irradiation;	73%

: 117-80-6
2,3-Dichloro-1,4-naphthoquinone

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

: 1347739-43-8
2,2',3,3',11,11',12,12'-octahydro-7,7'-spirobi[naphtho[2,3-j] [1,5,9,12]dioxadithiacyclopentadecin]-4,4',10,10',14,14',19,19'(6H,6'H,8H,8'H)-octaone

Conditions

Conditions	Yield
With triethylamine In chloroform for 4h;	57.5%

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

: (S)-2-(pyridin-2-yldisulfanyl)ethyl 4-cyano-4-(((ethylthio)carbonothioyl)thio)pentanoate

: C61H88N4O16S20

Conditions

Conditions	Yield
With acetic acid In dichloromethane at 20℃; for 48h;	14%

: 765-12-8
Triethylene glycol divinyl ether

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

polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); triethylene glycol divinyl ether: polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); triethylene glycol divinyl ether

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone at 20℃; for 30h; UV-irradiation;

: 13048-33-4
hexamethylene glycol diacrylate

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

polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); 1,6-hexanediol diacrylate: polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); 1,6-hexanediol diacrylate

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone at 20℃; for 30h; UV-irradiation;

: 682-09-7
trimethylol propane diallyl ether

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

polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); trimethylolpropane diallyl ether: polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); trimethylolpropane diallyl ether

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone In various solvent(s) Kinetics; Irradiation;
With 2,2-dimethoxy-2-phenylacetophenone at 20℃; for 30h; UV-irradiation;

: 1,6-hexanediol di(norborn-2-ene-5-carboxylate)

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

polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); 1,6-hexanediol di(norborn-2-ene-5-carboxylate): polymer; monomer(s): pentaerythritol tetra(3-mercaptopropionate); 1,6-hexanediol di(norborn-2-ene-5-carboxylate)

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone at 20℃; for 30h; UV-irradiation;

: 1025-15-6
triallyl isocyanurate

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

polymer; monomer(s): 1,3,5-triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; pentaerythritol tetra(3-mercaptopropionate): polymer; monomer(s): 1,3,5-triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; pentaerythritol tetra(3-mercaptopropionate)

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone at 20℃; Kinetics; UV-irradiation;

: hexane-1,6-diol dimethylacrylate

: 1025-15-6
triallyl isocyanurate

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

polymer; monomer(s): 1,3,5-triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; pentaerythritol tetra(3-mercaptopropionate); hexane-1,6-diol dimethylacrylate: polymer; monomer(s): 1,3,5-triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione; pentaerythritol tetra(3-mercaptopropionate); hexane-1,6-diol dimethylacrylate

Conditions

Conditions	Yield
With 2,2-dimethoxy-2-phenylacetophenone at 20℃; Kinetics; UV-irradiation;

...Expand

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

: C17H27NO9S4

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

poly(ethylene glycol) diacrylate: poly(ethylene glycol) diacrylate

poly(ethylene glycol) hexathiol: poly(ethylene glycol) hexathiol

Conditions

Conditions	Yield
With sodium hydroxide; 2,6-di-tert-butyl-4-methyl-phenol In tetrahydrofuran; dichloromethane; water for 0.916667h;

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

poly(ethylene glycol) diacrylate: poly(ethylene glycol) diacrylate

poly(ethylene glycol) tetraacrylate: poly(ethylene glycol) tetraacrylate

Conditions

Conditions	Yield
With sodium hydroxide; 2,6-di-tert-butyl-4-methyl-phenol In tetrahydrofuran; dichloromethane; water for 0.5h;

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

: 3634-83-1
m-xylylene diisocyanate

poly(pentaerythritol 3-mercaptopropionic ester-co-m-xylylene diisocyanate): poly(pentaerythritol 3-mercaptopropionic ester-co-m-xylylene diisocyanate)

Conditions

Conditions	Yield
With ZELEC UN; Viosorb 583; dibutyltin chloride at 10 - 120℃; for 18h; Product distribution / selectivity;
dithiocyanato tetramino cobalt tetraphenyl borate In 1-methyl-pyrrolidin-2-one for 0.0166667h; Reactivity; Irradiation;
acetato pentamino cobalt tetraphenyl borate In 1-methyl-pyrrolidin-2-one for 0.0166667h; Reactivity; Irradiation;

: 10477-47-1
propargyl acrylate

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

: 1148009-98-6
C41H52O16S4

Conditions

Conditions	Yield
With hexan-1-amine for 1h; Michael reaction;
for 1h;
With hexan-1-amine at 20℃; for 1.03333h;

Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester 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

Product Name

PENTAERYTHRITOL TETRA(3-MERCAPTOPROPIONATE)

Synthetic route

Propanoic acid,3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl]ester Specification

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