Pentaerythritol tetra(3-mercaptopropionate)

HCID 82056CAS 7575-23-7
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
InChIKey
JOBBTVPTPXRUBP-UHFFFAOYSA-N
Molecular formula
C17H28O8S4
Average molar mass
488.7 g/mol
Monoisotopic mass
488.06670186

Overview

structure in first source

Names & identifiers

Preferred name
Pentaerythritol tetra(3-mercaptopropionate)
IUPAC
[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoate
English name
Pentaerythritol Tetra(3-mercaptopropionate)
Molecular formula
C17H28O8S4
Molecular weight
488.66

Names & synonyms

7575-23-7Pentaerythritol Tetra(3-mercaptopropionate)pentaerythrityl tetrakis(3-mercaptopropionate)6M5413VH6NPOS-405QX-40EH-316EH-317PETMP cpdRefChem:859783231-472-8Pentaerythritol tetrakis(3-mercaptopropionate)
Show more names
PETMPMonomer-PETMPUV monomer PETMPPentaerythritol Tetrapentaerythritol tetrakis-thiopropionateQ 43QX 40SUV-9PEMP|PETMP
[3-(3-sulfanylpropanoyloxy)-2,2-bis(3-sulfanylpropanoyloxymethyl)propyl] 3-sulfanylpropanoateUNII-6M5413VH6NDTXSID1044728EINECS 231-472-8EC 231-472-8MFCD00022104Propanoic acid, 3-mercapto-, 1,1'-(2,2-bis((3-mercapto-1-oxopropoxy)methyl)-1,3-propanediyl) esterpentaerythritol-tetrakis-3-mercaptopropionate

Database identifiers

CAS
7575-23-7
PubChem CID
82056
DTXSID
DTXSID1044728
ChEMBL
CHEMBL3183062
UNII
6M5413VH6N
EC Number
231-472-8
Nikkaji
J39.159J

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
109 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
20
Heavy atoms
29

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point
275 °C1 · 275 °C1 mm Hg(lit.)
Density
1.28 g/mL · 1.28 g/mL at 25 °C(lit.)
vapor pressure
0 Pa · 0Pa at 25℃
refractive index
20 · n20/D 1.531(lit.)
Flash point
230 °F · >230 °F
storage temp.
2 · 2-8°C, stored under nitrogen

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P308+P316, P319, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 292 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 4 items

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

Propanoic acid, 3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-mercapto-, 1,1'-[2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl] ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/10120

Propanoic acid, 3-mercapto-, 2,2-bis(3-mercapto-1-oxopropoxy)methyl-1,3-propanediyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 4 (94.9%)

Safety data

PPE
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 3334
hs_code
2930.90.9250
risk_code
36/37/38-50/53-43-22

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 145,338 lb
Consumer UsesUV stabilizer
Industry UsesChain transfer agent
General Manufacturing Information · 2 items

Plastics Product Manufacturing

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

Applications · 2 items

DescriptionPentaerythritol Tetra(3-mercaptopropionate), also known as pentaerythritol tetra-3-mercaptopropionate, pentaerythritol tetra (3-mercaptopropionate) (PETMP), colorless liquids, water-insoluble, and widely used as intermediates for organic synthesis, modifiers in polymerization reactions such as UV coatings, inks, adhesives, etc., crosslinking agents, acidic ion exchange catalysts, low-temperature curing agents, etc. At present, the main production mode is catalytic esterification of pentaerythritol and mercaptopropionic acid. The catalysts used are mostly methanesulfonic acid, p-toluenesulfonic acid, and the like, and the synthesized product has a tetraester content of less than 70%.

UsesPentaerythritol Tetra(3-mercaptopropionate) can be used for additives for hair treatments.

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北宥澄新材料科技有限公司17764017698 13163370568 · [email protected]

Related reactions

1 records
New reaction record

Linked notes

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