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Merck
CN

93370

1,1,1-Tris(hydroxymethyl)propane

dist., ≥98.0% (GC)

Synonym(s):

2-Ethyl-2-hydroxymethyl-1,3-propanediol, Trimethylolpropane

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About This Item

Linear Formula:
CH3CH2C(CH2OH)3
CAS Number:
77-99-6
Molecular Weight:
134.17
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57653544
EC Number:
201-074-9
Beilstein/REAXYS Number:
1698309
MDL number:
MFCD00004694
Assay:
≥98.0% (GC)
Form:
(Powder or Crystals or Granules or Chunks)

Key Documents

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InChI key

ZJCCRDAZUWHFQH-UHFFFAOYSA-N

InChI

1S/C6H14O3/c1-2-6(3-7,4-8)5-9/h7-9H,2-5H2,1H3

SMILES string

CCC(CO)(CO)CO

vapor density

4.8 (vs air)

vapor pressure

<1 mmHg ( 20 °C)

assay

≥98.0% (GC)

form

(Powder or Crystals or Granules or Chunks)

autoignition temp.

1301 °F

quality

dist.

bp

159-161 °C/2 mmHg (lit.)

Quality Level

200

mp

56-61 °C

solubility

H2O: 0.1 g/mL, clear

functional group

hydroxyl

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Application

1,1,1-Tris(hydroxymethyl)propane is used as a starting material in the synthesis of a variety of polyglycerols and polylactides. It is also used as a tripodal ligand to construct manganese-based metal-organic complexes as single molecular magnets.

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H361fd

Hazard Classifications

Repr. 2

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

356.0 °F - Cleveland open cup

flash_point_c

180 °C - Cleveland open cup

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCN5417
BCCM6855
BCCM3638
BCCL1747
BCCJ4595

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Synthesis, characterization, and viscoelastic properties of high molecular weight hyperbranched polyglycerols.
Kainthan RK, et al.
Macromolecules, 39(22), 7708-7717 (2006)
Synthesis, structure, and magnetic properties of a [Mn22] wheel-like single-molecule magnet.
Murugesu M, et al.
Inorganic Chemistry, 43(14), 4203-4209 (2004)
Telechelic and star-shaped poly (L-lactide) s by means of bismuth (III) acetate as initiator.
Kricheldorf HR, et al.
Biomacromolecules, 5(2), 492-496 (2004)
Vita Kiriliauskaitė et al.
Journal of industrial microbiology & biotechnology, 38(9), 1561-1566 (2011-02-18)
The ability of the commercial lipolytic enzyme Lipoprime 50T to catalyze the biotechnologically important synthesis of the biodegradable and environmentally acceptable trimethylolpropane (2-ethyl-2-(hydroxymethyl)-1,3-propanediol) ester of oleic acid was investigated. Simple and accurate thin-layer chromatography and computer analysis methods were used
Ruzaimah Nik Mohamad Kamil et al.
Bioresource technology, 101(15), 5877-5884 (2010-03-23)
A mathematical model describing chemical kinetics of transesterification of palm-based methyl esters with trimethylolpropane has been developed. The model was developed by utilizing nonlinear regression method, which is an efficient and powerful way to determine rate constants for both forward
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