Dimethylolpropionic acid (HCID 78501)

개요

2,2-Bis(hydroxymethyl)propionic acid is a 3-hydroxy carboxylic acid.

이름 및 식별자

우선 이름: Dimethylolpropionic acid
IUPAC: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
현지명: 2,2-비스(히드록시메틸)프로판 산
영어명: 2,2-Bis(hydroxymethyl)propionic acid
분자식: C5H10O4
분자량: 134.13

이름 및 동의어

2,2-Bis(hydroxymethyl)propionic acid4767-03-73-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acidDimethylolpropionic acid2,2-Bis(hydroxymethyl)propanoic acidDTXSID4027577NSC-96616.alpha.,.alpha.-Dimethylolpropionic acidUNII-4NHI8V17MNDIHYDROXYPIVALIC ACIDDTXCID607577PTBDIHRZYDMNKB-UHFFFAOYSA-

이름 더 보기

2,2-비스(하이드록시메틸)프로판산2,2-비스(히드록시메틸)프로판산2,2-비스(하이드록시메틸)프로판산(2,2-BIS(HYDROXYMETHYL)PROPANOICACID)2,2-다이메틸올프로피온산2,2-다이하이드록시메틸프로판산2,2-비스(메틸올)프로피온산2,2-비스(하이드록시메틸)프로피온산다이메틸올프로피온산프로판산, 3-하이드록시-2-(하이드록시메틸)-2-메틸-DMPABis-MPABis(hydroxymethyl)propionic acidDiMethylol Propionic2,2-DIMETHYLOLPROPIONIC ACID2,2-Bis(methylol)propionic acid2,2-bis(hydroxymethyl)propanoicacidPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-

2,2-dihydroxymethylpropanoic acidEINECS 225-306-3DIMETHYLOLPROPIONIC ACID [MI]EC 225-306-3RefChem:134365alpha,alpha-Dimethylolpropionic acid2,2-bis(hydroxymethyl)-propionic acidDIMETHYLOLPROPIONIC ACID [INCI]

데이터베이스 식별자

CAS: 4767-03-7
PubChem CID: 78501
DTXSID: DTXSID4027577
ChEMBL: CHEMBL3183172
ChEBI: CHEBI:177432
UNII: 4NHI8V17MN
EC Number: 225-306-3
Nikkaji: J21.873A

물성

구조 계산 물성

XLogP: -1.3
극성 표면적: 77.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 9
형식 전하: 0
복잡도: 106

실험 및 물리화학적 성질

SpringerMaterials PropertiesFusion temperature

Food Contact Substances · 3건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications

물리화학적 성질

녹는점: 189 · 189-191 °C(lit.)
끓는 점: 167.23 °C · 167.23°C (rough estimate)
밀도: 0.84 · 0.84
증기 밀도: 1 · <1 (vs air)
굴절률: 1.424 · 1.4240 (estimate)
인화점: 150 °C · >150°C
저장 조건: Inert atmosphere,Room Temperature
용해도: 2 O: · H2O: 용해성
물리적 상태: 결정성 분말
산도 계수 (pKa): 4.16 · 4.16±0.15(Predicted)
색상: 하얀색
수소이온지수(pH): 2.6 · 2.6 (50g/l, H2O, 20℃)
수용성: 녹는
Merck: 14 · 14,3253
BRN: 1756385 · 1756385
안정성: 안정적인. 흡습성.
InChI: 1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)
InChIKey: PTBDIHRZYDMNKB-UHFFFAOYSA-N
SMILES: CC(CO)(CO)C(O)=O
NIST: 2 · 2,2-Bis(hydroxymethyl)propionic acid(4767-03-7)
EPA: Dimethylolpropionic acid (4767-03-7)

화학적 성질

white crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 0.8% (6 of 771) of reports.

Warning

H319 (99.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 771 reports by companies from 24 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Chemical: Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-

Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/13154

2,2-Bis (hydroxymethyl) propionic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Irrit. 2 (99.2%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UA2465265
독성: LD50 orally in Rabbit: > 2000 mg/kg
HS 번호: 29159000
risk_code: 36/37/38-36/37
hazard_code: Xi
safety_code: 26-37/39
기존화학 물질: 2001-3-1738KE-20562
F 고인화성물질: 3-9
위험 참고 사항: Irritant
자연 발화 온도: >300 °C
Hazard Classifications: Eye Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationPropanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl-: ACTIVE

응용 분야 · 1건

용도2,2-bis(hydroxymethyl)propionic acid (DMPA) is a versatile organic materials. it is used as water-based polyurethane chain extender, also make the polyurethane obtained from emulsifying properties, excellent stability can be made self-emulsifying aqueous polyurethane. For preparation a photosensitive resin and liquid crystal materials; for epoxy ester coatings, polyurethane elastomers and powder coatings; Preparation of magnetic recording materials and adhesives etc..