CAS 4767-03-7 Dimethylolpropionic acid (HCID 78501)

Overview

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

Names & identifiers

Preferred name: Dimethylolpropionic acid
IUPAC: 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
English name: 2,2-Bis(hydroxymethyl)propionic acid
Molecular formula: C5H10O4
Molecular weight: 134.13

Names & synonyms

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-

Show more names

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]

Database identifiers

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

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

SpringerMaterials PropertiesFusion temperature

Food Contact Substances · 3 items

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

Physicochemical properties

Melting point: 189 · 189-191 °C(lit.)
Boiling point: 167.23 °C · 167.23°C (rough estimate)
Density: 0.84 · 0.84
vapor density: 1 · <1 (vs air)
refractive index: 1.424 · 1.4240 (estimate)
Flash point: 150 °C · >150°C
storage temp.: Inert atmosphere,Room Temperature
solubility: 2 O: · H2O: soluble
form: Crystalline Powder
pka: 4.16 · 4.16±0.15(Predicted)
color: White
PH: 2.6 · 2.6 (50g/l, H2O, 20℃)
Water Solubility: soluble
Sensitive: Hygroscopic
Merck: 14 · 14,3253
BRN: 1756385 · 1756385
Stability: Stable. Hygroscopic.
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
Indirect Additives used in Food Contact Substances: DIMETHYLOLPROPIONIC ACID
FDA 21 CFR: 175.105 · 175.105; 176.170; 178.3725
CAS DataBase Reference: 4767 · 4767-03-7(CAS DataBase Reference)
FDA UNII: 4 NHI8V17MN · 4NHI8V17MN
NIST Chemistry Reference: 2 · 2,2-Bis(hydroxymethyl)propionic acid(4767-03-7)
EPA Substance Registry System: Dimethylolpropionic acid (4767-03-7)
UNSPSC Code: 12352106 · 12352106
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319
Precautionary statements: 305 · P305+P351+P338
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36/37
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
RTECS: 2465265 · UA2465265
F: 3 · 3-9
Autoignition Temperature: 300 °C · >300 °C
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29159000 · 29159000
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 · Eye Irrit. 2
Toxicity: 50 orally · LD50 orally in Rabbit: > 2000 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 3 items

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%)

Safety data

F: 3-9
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
rtecs: UA2465265
hs_code: 29159000
Toxicity: LD50 orally in Rabbit: > 2000 mg/kg
risk_code: 36/37/38-36/37
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39
Storage Class: 11 - Combustible Solids
Hazard statements: H319
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2
Autoignition Temperature: >300 °C
Precautionary statements: P305+P351+P338

Chemistry & industry

Uses & manufacturing

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

Applications · 3 items

Uses2,2-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..

Uses2,2-Bis(hydroxymethyl)propionic acid is commonly used as an AB2 monomer for the synthesis of hyperbranched (hb) polymers and dendrimers.

UsesIn preparation of water-sol alkyl resins.