(Z)-9-옥타데카노익산 3-하이드록시-2,2-비스(하이드록시메틸)프로필 에스테르

Pentaerythritol monooleate

HCID 6436366CAS 10332-32-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)(CO)CO
InChIKey
QQVGEJLUEOSDBB-KTKRTIGZSA-N
분자식
C23H44O5
평균 분자량
400.6 g/mol
단동위원소 질량
400.31887451

이름 및 식별자

우선 이름
Pentaerythritol monooleate
IUPAC
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoate
현지명
(Z)-9-옥타데카노익산 3-하이드록시-2,2-비스(하이드록시메틸)프로필 에스테르
영어명
3-hydroxy-2,2-bis(hydroxymethyl)propyl oleate
분자식
C23H44O5
분자량
400.59

이름 및 동의어

Pentaerythritol monooleate10332-32-83-Hydroxy-2,2-bis(hydroxymethyl)propyl oleatepentaerythrityl monooleate46V85GPR8M9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterEINECS 233-723-7AI3-07501DTXSID308931099-Octadecenoic acid, (Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl esterRefChem:859743DTXCID301323054
이름 더 보기
(Z)-9-옥타데카노익산3-하이드록시-2,2-비스(하이드록시메틸)프로필에스테르(Z)-9-옥타데카노익산3-하이드록시-2,2-비스(하이드록시메틸)프로필에스테르3-하이드록시-2,2-비스(하이드록시메틸)프로필올레에이트Pentaerythritol oleate (PEO)Oleic acid 2,2-bis(hydroxymethyl)-3-hydroxypropyl ester(Z)-9-Octadecenoic acid 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] (Z)-octadec-9-enoateUNII-46V85GPR8Mpentaerythritol mono-oleateSCHEMBL1455473-HYDROXY-2,2-BIS(HYDROXYMETHYL)PROPYL (9Z)-OCTADEC-9-ENOATENS00086455Q27258960

데이터베이스 식별자

CAS
10332-32-8
PubChem CID
6436366
DTXSID
DTXSID30893109
UNII
46V85GPR8M
EC Number
233-723-7
Nikkaji
J236.770J

물성

구조 계산 물성

XLogP
5.7
극성 표면적
87 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
5
회전 가능 결합 수
21
무거운 원자 수
28

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

끓는 점
523.6 · 523.6±50.0 °C(Predicted)
밀도
1.006 · 1.006±0.06 g/cm3(Predicted)
산도 계수 (pKa)
13.51 · 13.51±0.10(Predicted)
InChI
InChI=1S/C23H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h9-10,24-26H,2-8,11-21H2,1H3/b10-9-
InChIKey
QQVGEJLUEOSDBB-KTKRTIGZSA-N
SMILES
C(OCC(CO)(CO)CO)(=O)CCCCCCC/C=C\CCCCCCCC

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (59 of 59) of all reports.

Not Classified

Aggregated GHS information provided per 59 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information · 3건

Chemical: 9-Octadecenoic acid, 3-hydroxy-2,2-bis(hydroxymethyl)propylester, (Z)-

9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl 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)

9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
EPA Safer ChemicalChemical: Pentaerythritol monooleate
Hazard Classes and CategoriesNot Classified

안전 데이터

tsca
TSCA listed
기존화학 물질
KE-26486

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb
Consumer UsesLubricating agent
Industry UsesNot Known or Reasonably Ascertainable
Use Classification · 2건

EPA Safer Chemical Functional Use Classes -> Solvents

Safer Chemical Classes -> Green half-circle - The chemical is expected to be of low concern

General Manufacturing Information · 2건

Petroleum Lubricating Oil and Grease Manufacturing

9-Octadecenoic acid (9Z)-, 3-hydroxy-2,2-bis(hydroxymethyl)propyl ester: ACTIVE

공급사35 곳

南通鲁尔化工有限公司18012215199 · [email protected]
桑达化工（南通）有限公司0513-88168817 13862717117 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]

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