1,1,1-三(羟甲基)乙烷

Description

1,1,1-Tris(hydroxymethyl)ethane · CAS 77-85-0 · C5H12O3. UNII 5D10NYN23W. Boiling Point: 283 °C; Boiling Point: BP: 137 °C at 15 mm Hg; Melting Point: 204 °C.

Identification

CAS Registry Number	77-85-0
PubChem CID	6502
Molecular formula	C5H12O3
IUPAC name	2-(hydroxymethyl)-2-methylpropane-1,3-diol
UNII (FDA)	5D10NYN23W

Computed Descriptors

Molecular Weight	120.15
XLogP3	-1.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	120.078644241
Monoisotopic Mass	120.078644241
Topological Polar Surface Area	60.7
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	283 °C
Boiling Point	BP: 137 °C at 15 mm Hg
Melting Point	204 °C
Solubility	In water, 140 g per 100 g at 25 °C
Density	1.210 g/cu cm at 20 °C

Physical description & handling notes

• Dry Powder
• Colorless or white solid; [HSDB]
• White powder or needles from alcohol
• Colorless crystals
• Miscible in water and ethanol; insoluble in diethyl ether and benzene; very soluble in acetic acid
• Soluble in water and ethanol

Regulatory Status

Regulatory & Food Contact	FDA Cumulative Estimated Daily Intake (CEDI): FCS FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
GHS notification summary	90.6% (145 / 160)

GHS Hazard Classification

GHS notification summary	90.6% (145 / 160)

Documented Uses

• Used to make varnishes, drying oils, and polyesters for polyurethane foams, alkyd surface coatings, lubricants, and hydraulic fluids; Also used as a heat stabilizer for polyvinyl chloride resins; [HSDB]
• Painting (Solvents) [Category: Paint]
• Plastic Composites Manufacturing [Category: Industry]
• Conditioning agent; mfr of varnishes, alkyd and polyester resins, synthetic drying oils
• Used in the manufacture of alkyd surface coatings and polyester resins (polyurethane foams). Heat stabilizer for polyvinyl chloride resins.
• Polyethers are used in ethylene vinyl acetate and polyurethane adhesives.

Synonyms

1,1,1-TRIS(HYDROXYMETHYL)ETHANE; 77-85-0; Trimethylolethane; Methriol; Metriol; Pentaglycerine; Methyltrimethanolmethane; Ethylidynetrimethanol; Tris(hydroxymethyl)ethane; 1,1,1-Trimethylolethane; Methyltrimethylolmethane; 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-; 1,1,1-Trimethanolethane; 1,1,1-Tris(methylol)ethane; Ethane, 1,1,1-tris(hydroxymethyl)-; 5D10NYN23W

Frequently Asked Questions

What are the CAS number and molecular formula of 1,1,1-Tris(hydroxymethyl)ethane?

CAS 77-85-0; molecular formula C5H12O3; molecular weight — g/mol.

What other names is 1,1,1-Tris(hydroxymethyl)ethane known by?

1,1,1-TRIS(HYDROXYMETHYL)ETHANE, 77-85-0, Trimethylolethane, Methriol, Metriol, Pentaglycerine.

What is the regulatory status of 1,1,1-Tris(hydroxymethyl)ethane?

Documented regulatory listings: FDA Cumulative Estimated Daily Intake (CEDI): FCS; FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS.

Is 1,1,1-Tris(hydroxymethyl)ethane classified as hazardous?

90.6% of GHS notifications report no hazard classification (145 of 160).

What are the key physical properties of 1,1,1-Tris(hydroxymethyl)ethane?

Boiling Point: 283 °C; Boiling Point: BP: 137 °C at 15 mm Hg; Melting Point: 204 °C; Solubility: In water, 140 g per 100 g at 25 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.