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525170

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate

≥98.5%

Synonym(s):

1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate

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About This Item

Linear Formula:
(CH3)2CHCH[O2CCH(CH3)2]C(CH3)2CH2O2CCH(CH3)2
CAS Number:
6846-50-0
Molecular Weight:
286.41
NACRES:
NA.22
PubChem Substance ID:
24874477
UNSPSC Code:
12352100
EC Number:
229-934-9
MDL number:
MFCD00059267
Assay:
≥98.5%
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Quality Segment

100

assay

≥98.5%

autoignition temp.

795 °F

expl. lim.

0.48 %, 172 °F, 3.1 %, 230 °F

refractive index

n20/D 1.434 (lit.)

bp

280 °C (lit.)

mp

−70 °C (lit.)

density

0.941 g/mL at 25 °C (lit.)

functional group

ester

SMILES string

CC(C)C(OC(=O)C(C)C)C(C)(C)COC(=O)C(C)C

InChI

1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3

InChI key

OMVSWZDEEGIJJI-UHFFFAOYSA-N

General description

TXIB is also referred to as Eastman plasticizer. 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (TXIB) is widely used in food packaging. Its toxicity has been assessed.

Application

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate may be used as a plasticizer in the fabrication of highly plasticized polyvinyl chloride, crosslinked by gamma irradiation.
Plasticizer.

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pictograms

Health hazard
GHS08

signalword

Warning

Hazard Classifications

Aquatic Chronic 3 - Repr. 2

Storage Class

10 - Combustible liquids

flash_point_f

276.8 °F - Non-equilibrium method

flash_point_c

136 °C - Non-equilibrium method

ppe

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)

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