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Merck
CN

148083

1,1,1-Tris(hydroxymethyl)propane

97%

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:
24848880
EC Number:
201-074-9
Beilstein/REAXYS Number:
1698309
MDL number:
MFCD00004694
Assay:
97%
Form:
(Powder or Crystals or Granules or Chunks)

Key Documents

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Product Name

1,1,1-Tris(hydroxymethyl)propane, 97%

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

97%

form

(Powder or Crystals or Granules or Chunks)

autoignition temp.

1301 °F

bp

159-161 °C/2 mmHg (lit.)

mp

56-58 °C (lit.)

functional group

hydroxyl

Quality Level

200

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Application

1,1,1-Tris(hydroxymethyl)propane was used as hydrogen bond-donating agent during triol-promoted activation of the C-F bond of benzylic fluorides. It was used in synthesis of new octanuclear manganese cluster and hyperbranched polyethers.

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
BCCM6855
BCCN5417
MKCW5668
BCCM3638
BCCL1747

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Pier Alexandre Champagne et al.
Beilstein journal of organic chemistry, 9, 2451-2456 (2013-12-25)
Activation of the C-F bond of benzylic fluorides was achieved using 1,1,1-tris(hydroxymethyl)propane (2) as a hydrogen bond-donating agent. Investigations demonstrated that hydrogen bond-donating solvents are promoting the activation and hydrogen bond-accepting ones are hindering it. However, the reaction is best
Hyperbranched aliphatic polyethers obtained from environmentally benign monomer: glycerol carbonate.
Rokicki G, et al.
Green Chemistry, 7(7), 529-539 (2005)
M A Wright et al.
Applied and environmental microbiology, 59(4), 1072-1076 (1993-04-01)
A bacterium that was able to utilize Emkarate 1550 (E1550), a synthetic lubricant ester, as the sole source of carbon was isolated. The isolate was tentatively identified as Micrococcus roseus. The components of the E1550 ester, octanoate, decanoate, and 1,1,1-tris(hydroxymethyl)propane
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
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
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