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525170

Sigma-Aldrich

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
EC Number:
229-934-9
MDL number:
MFCD00059267
UNSPSC Code:
12352100
PubChem Substance ID:
24874477
NACRES:
NA.22
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Quality Level

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

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General description

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

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.[1]
Plasticizer.

Pictograms

Health hazard
GHS08

Signal Word

Warning

Hazard Statements

H361d,H412

Hazard Classifications

Aquatic Chronic 3 - Repr. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 1

Flash Point(F)

276.8 °F - Non-equilibrium method

Flash Point(C)

136 °C - Non-equilibrium method

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS0663
MKCS0261
MKCQ6932
MKCN7417
MKCJ9590

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W S Cain et al.
Indoor air, 15(6), 445-457 (2005-11-05)
An experiment explored ability of subjects to detect vapors of the plasticizer TXIB (2,2,4-trimethyl-1,3-pentanediol diisobutyrate) and ethanol via olfaction and via ocular and nasal chemesthesis, i.e. chemically stimulated feel. Testing, tailored to the sensitivity of each subject, produced psychometric functions
Ulrike Bönisch et al.
PloS one, 7(7), e39817-e39817 (2012-07-18)
Epidemiological studies suggest an association between exposure to volatile organic compounds (VOCs) and adverse allergic and respiratory symptoms. However, whether VOCs exhibit a causal role as adjuvants in asthma development remains unclear. To investigate the effect of VOC exposure on
The toxicology and fate of 2,2,4-trimethyl-1,3-pentanediol diisobutyrate.
B D Astill et al.
Toxicology and applied pharmacology, 22(3), 387-399 (1972-07-01)
Cutting out phthalates.
Tullo AH.
Chemical and Engineering News, 83(46) (2006)
Radiation crosslinking of highly plasticized PVC.
Mendizabal E, et al.
Radiation Physics and Chemistry, 47(6), 305-309 (1996)
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Questions

1–2 of 2 Questions  

  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer

    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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