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Safety Information

T87807

Sigma-Aldrich

1,1,1-Tris(hydroxymethyl)ethane

≥98%

Synonym(s):

2-Hydroxymethyl-2-methyl-1,3-propanediol, Trimethylolethane

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About This Item

Linear Formula:
CH3C(CH2OH)3
CAS Number:
77-85-0
Molecular Weight:
120.15
Beilstein:
1304452
EC Number:
201-063-9
MDL number:
MFCD00004687
UNSPSC Code:
12352100
PubChem Substance ID:
24900560
NACRES:
NA.22
Assay:
≥98%

Quality Level

200

Assay

≥98%

mp

193-195 °C (lit.)

SMILES string

CC(CO)(CO)CO

InChI

1S/C5H12O3/c1-5(2-6,3-7)4-8/h6-8H,2-4H2,1H3

InChI key

QXJQHYBHAIHNGG-UHFFFAOYSA-N

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Application

1,1,1-Tris(hydroxymethyl)ethane can be used as a reactant to synthesize:
  • Hyperbranched polyesters by polycondensation reaction with dimethyl esters of aliphatic dicarboxylic acids.
  • Trimeric anionic surfactants by reacting with long-chain α-bromo fatty acids.

It can also be used as a tridentate O-donor ligand in the:
  • Copper-catalyzed cross-coupling reactions between aryl iodides and amides, thiols, and phenols to prepare corresponding products via formation of C−N, C−S, and C−O bonds.
  • N-arylation of azaheterocycles with aryl iodides using copper-catalyst.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

320.0 °F - closed cup

Flash Point(C)

160.00 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

T87807-2KG:
T87807-25G:
T87807-500G:
T87807-12KG:
T87807-BULK:
T87807-VAR:
T87807-1KG:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS6352
MKCQ5040
MKCM4329
MKCK8420
MKCK8418

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Highly Efficient CuI-Catalyzed N-Arylation of Azaheterocycles with Aryl Iodides Using 1, 1, 1-Tris (Hydroxymethyl) ethane as a Tridentate O-Donor Ligand: A Shorter Route to Toloxatone and Formal Synthesis of Linezolid
Chen H-H, et al.
J. Chin. Chem. Soc., 57(1), 14-18 (2010)
Synthesis and surface-active properties of a homologous series of star-like triple-chain anionic surfactants derived from 1, 1, 1-tris (hydroxymethyl) ethane
Li Xu, et al.
Journal of Surfactants and Detergents, 19(1), 129-135 (2016)
Eunmi Hong et al.
International journal of pharmaceutics, 574, 118893-118893 (2019-11-26)
Combination therapy, a treatment regimen that combines more than two therapeutic agents to diseased tissues has recently gained increasing attentions in anticancer therapy. As cancer cells are more vulnerable to oxidative stress and heat compared to normal cells, we developed
1, 1, 1-Tris (hydroxymethyl) ethane as a new, efficient, and versatile tripod ligand for copper-catalyzed cross-coupling reactions of aryl iodides with amides, thiols, and phenols
Chen Y-J and Chen H-H
Organic Letters, 8(24), 5609-5612 (2006)
Yanliang Dong et al.
Journal of materials chemistry. B, 9(2), 357-365 (2020-11-28)
Bacterial infection is a serious clinical threat. The misuse of antibiotics has already resulted in the emergence of antibiotic-resistant strains of pathogenic bacteria. Efficient membrane-destructive antibacterial agents are considered as an alternative, promising solution against bacterial infection. Herein, we prepared
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