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142476

Sigma-Aldrich

2-Butyl-2-ethyl-1,3-propanediol

99%

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About This Item

Linear Formula:
HOCH2C[(CH2)3CH3](C2H5)CH2OH
CAS Number:
115-84-4
Molecular Weight:
160.25
EC Number:
204-111-7
MDL number:
MFCD00004697
UNSPSC Code:
12352100
PubChem Substance ID:
24848527
NACRES:
NA.22

Assay

99%

bp

178 °C/50 mmHg (lit.)

mp

41-44 °C (lit.)

functional group

hydroxyl

SMILES string

CCCCC(CC)(CO)CO

InChI

1S/C9H20O2/c1-3-5-6-9(4-2,7-10)8-11/h10-11H,3-8H2,1-2H3

InChI key

DSKYSDCYIODJPC-UHFFFAOYSA-N

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General description

2-Butyl-2-ethyl-1,3-propanediol undergoes bulk polycondensation with diacid monomer (terephthalic acid) to yield poly(ethylene terephthalate) copolymers.

Application

2-Butyl-2-ethyl-1,3-propanediol was used in the synthesis of polyesters.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H319

Hazard Classifications

Eye Irrit. 2

Storage Class Code

13 - Non Combustible Solids

WGK

WGK 1

Flash Point(F)

276.8 °F - closed cup

Flash Point(C)

136 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCK5190
BCBP8782V
BCBB6426V
BCBB6426
BCBB6409V

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Structural characterization and thermal properties of poly (ethylene terephthalate) copolymers containing 2-butyl-2-ethyl-1, 3-propanediol.
Kint DPR, et al.
Journal of Applied Polymer Science, 86(5), 1077-1086 (2002)
Olli Laine et al.
Analytical chemistry, 74(16), 4250-4258 (2002-08-30)
Polyesters prepared from the same diol, 2-butyl-2-ethyl-1,3-propanediol, but different phthalic acid isomers, phthalic, isophthalic, and terephthalic acid, were characterized by collision-induced dissociation electrospray ionization Fourier transform ion cyclotron resonance (CID-ESI-FT-ICR) and postsource-decay matrix-assisted laser desorption/ionization time-of-flight (PSD-MALDI-TOF) mass spectrometry. Sodiated

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