펜타시약 테트라(3-메캅토프로피온염)

펜타시약테트라(3-메캅토프로피온염) · PETMP · PENTAERYTHRITOL TETRAKIS(3-MERCAPTOPROPIONATE) · Monomer-PETMP · UV monomer PETMP · Pentaerythritol Tetra · pentaerythritol tetrakis-thiopropionate · Q 43

https://huagongshe.com/ko/chemical/82056

식별자 및 물리적 특성

CAS No.	7575-23-7
분자식	C17H28O8S4
평균 분자량	488.7 g/mol
단동위원소 질량	488.06670186 g/mol
SMILES	O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
InChIKey	JOBBTVPTPXRUBP-UHFFFAOYSA-N
PubChem CID	82056
ChEMBL	CHEMBL3183062
EC No.	231-472-8
DTXSID	DTXSID1044728
현지명	펜타시약 테트라(3-메캅토프로피온염)

화학 및 물리적 성질

XLogP	0.8
극성 표면적	109
수소 결합 공여자 수	4
수소 결합 수용자 수	12
회전 가능 결합 수	20
무거운 원자 수	29
형식 전하	0
복잡도	436
Physical Description	Liquid
끓는 점	275 °C1 mm Hg(lit.)
밀도	1.28 g/mL at 25 °C(lit.)
증기압	0Pa at 25℃
굴절률	n20/D 1.531(lit.)
인화점	>230 °F
저장 조건	2-8°C, stored under nitrogen
용해도	Practically insoluble in water
물리적 상태	투명한 액체
pKa(산도 계수)	8.99±0.10(Predicted)
색상	무색 내지 거의 무색
비중	1.28
용해도	3.69mg/L at 20℃
BRN	2312625
화장품 원료 기능	필름 형성제
InChI	1S/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
InChIKey	JOBBTVPTPXRUBP-UHFFFAOYSA-N
SMILES	SCCC(=O)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS
LogP(분배 계수)	2.8 at 30℃
EPA	Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl ester (7575-23-7)

안전 및 규제

GHS 분류	WarningH302 (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.
규제 정보	Chemical: Propanoic acid, 3-mercapto-, 2,2-bis[(3-mercapto-1-oxopropoxy)methyl]-1,3-propanediyl esterPropanoic 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/10120Propanoic 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 Categories	Acute Tox. 4 (94.9%)
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
운송 번호(UN)	UN 3334
관세 코드	2930.90.9250
위험 문구(R)	36/37/38-50/53-43-22
위험 표시	Xi,N,Xn
안전 문구(S)	26-36-61-60-36/37
포장분류	III
위험 등급	9Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1
기존화학 물질

용도

개요

Pentaerythritol 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%.

용도

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