ChemicalBook > CAS DataBase List > 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE

2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE

Product Name
2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE
CAS No.
6846-50-0
Chemical Name
2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE
Synonyms
Txib;2,2,4-TRIMETHYL-1,3-PENTANEDIOL-ISOBUTYRATE;TRIMETHYL PENTANYL DIISOBUTYRATE;3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate;PROSOLVE DE;Pentanediol Diisobutyrate;2,2,4-TRIMETHYL-1,3-PENTANEDIOL BIS(ISOBUTYRATE);1-isopropyl-2,2-dimethyltrimethylene diisobutyrate;2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (TXIB);TMDIB
CBNumber
CB3125652
Molecular Formula
C16H30O4
Formula Weight
286.41
MOL File
6846-50-0.mol
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2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE Property

Melting point:
−70 °C(lit.)
Boiling point:
280 °C(lit.)
Density 
0.941 g/mL at 25 °C(lit.)
vapor pressure 
1.5Pa at 25℃
refractive index 
n20/D 1.434(lit.)
Flash point:
>230 °F
storage temp. 
Sealed in dry,Room Temperature
solubility 
Chloroform (Slightly), Methanol (Slightly)
form 
Liquid
color 
Clear colorless
explosive limit
0.48%, 172°F
Water Solubility 
13mg/L at 25℃
Merck 
14,9251
InChIKey
OMVSWZDEEGIJJI-UHFFFAOYSA-N
LogP
4.91 at 25℃
CAS DataBase Reference
6846-50-0(CAS DataBase Reference)
EPA Substance Registry System
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (6846-50-0)
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Safety

Safety Statements 
24/25
WGK Germany 
1
RTECS 
SA1420000
Autoignition Temperature
795 °F
TSCA 
TSCA listed
HS Code 
29156019
Hazardous Substances Data
6846-50-0(Hazardous Substances Data)
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H412Harmful to aquatic life with long lasting effects

Precautionary statements

P202Do not handle until all safety precautions have been read and understood.

P273Avoid release to the environment.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P308+P313IF exposed or concerned: Get medical advice/attention.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
525170
Product name
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Purity
≥98.5%
Packaging
1l
Price
$54.53
Updated
2025/07/31
Sigma-Aldrich
Product number
41601
Product name
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Purity
analytical standard
Packaging
1ml
Price
$59.6
Updated
2021/12/16
TCI Chemical
Product number
T0997
Product name
2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate
Purity
>98.5%(GC)
Packaging
25mL
Price
$16
Updated
2025/07/31
TCI Chemical
Product number
T0997
Product name
2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate
Purity
>98.5%(GC)
Packaging
500mL
Price
$23
Updated
2025/07/31
scipoly
Product number
P-191
Product name
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate
Packaging
100g
Price
$14
Updated
2024/07/03
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2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE Chemical Properties,Usage,Production

Chemical Properties

CLEAR COLORLESS LIQUID

Uses

Plasticizer.

Uses

2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate is a plastic additivea and was found to associate with newly diagnosed asthma.

Uses

In manufacture of vinyl flooring, toys and other vinyl products.

Definition

ChEBI: 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate is a diester.

General Description

2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate (TMPD-MIB), a volatile organic compound (VOC), is an important component found in water-based paints, printing inks, and anti-freeze agents. TMPD-MIB is a non-phthalate alternate plasticizer used in polyvinyl chloride plastics. Its detection in polystyrene and polypropylene cups used for food packing has been investigated.

Flammability and Explosibility

Not classified

Synthesis

77-68-9

6846-50-0

In a reaction vessel equipped with a stirring device and a temperature control system, 100 wt. portions of 2,2,4-trimethyl-1,3-pentanediol monoisobutyrate and 2 wt. portions of benzothiazole nitrate ionic liquid catalyst were added. Under sufficient stirring, the reaction temperature was controlled at 140 °C, and the transesterification reaction was carried out for 2 hours to produce 2,2,4-trimethyl-1,3-pentanediol isobutyrate and 2,2,4-trimethyl-1,3-pentanediol. Subsequently, the temperature was raised to 170-190 °C in the presence of an ionic liquid catalyst and distillation was carried out under reduced pressure at -0.003 MPa, resulting in 2,2,4-trimethyl-1,3-pentanediol diisobutyrate in 88.1% yield.

Toxics Screening Level

The initial threshold screening level (ITSL) for 2,2,4-trimethyl- 1,3 -pentanediol diisobutyrate is 106 μg/m3 based on an annual averaging time.

References

[1] Patent: CN107805199, 2018, A. Location in patent: Paragraph 0025-0031

2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE Preparation Products And Raw materials

Raw materials

Preparation Products

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2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE Suppliers

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View Lastest Price from 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE manufacturers

Yunjian (Guangzhou) Import Export Trade Co., Ltd
Product
2,2,4-Trimethyl-1,3-pentanediol diisobutyrate 6846-50-0
Price
US $0.00/kg
Min. Order
230kg
Purity
99%
Supply Ability
20000
Release date
2025-05-26
Hebei Chuanghai Biotechnology Co., Ltd
Product
2,2,4-Trimethyl-1,3-pentanediol Diisobutyrate 6846-50-0
Price
US $10.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
100 mt
Release date
2024-11-13
Watson Biotechnology Co.,Ltd
Product
Texanol Isobutyrate 6846-50-0
Price
US $0.00-0.00/kg
Min. Order
1kg
Purity
98%
Supply Ability
20MT
Release date
2024-08-23

6846-50-0, 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATERelated Search:

Ferrous sulfate 3-Methyl-1,5-pentanediol 1,1,1-Tris(hydroxymethyl)ethane 2,2-Dimethyl-1,3-propanediol 2,2,4-Trimethylpentane Isobutyric acid 2,2,4-Trimethyl-1,3-pentanediol monoisobutyrate 2,2,4-TRIMETHYLPENTYLMONOISOBUTYRATE 4-methylpentyl isobutyrate 2,2,4-Trimethyl-1,3-pentanediol 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE

  • TEXANOL ISOBUTYRATE
  • PROSOLVE DE
  • 2,2,4-TRIMETHYL-1,3-PENTANEDIOL BIS(ISOBUTYRATE)
  • 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISOBUTYRATE
  • 2,2,4-TRIMETHYL-1,3-PENTANEDIOL-ISOBUTYRATE
  • 2,2,4-TRIETHYL-1,3-PENTANEDIOL DIISOBUTYRATE
  • 2,2,4-TRIMETHYL-1,3-PENTANEDIOL DIISO-BU
  • 2,2,4-TRIMETHYL-1,3-PENTANEDIOLESTER
  • 1-Isopropyl-2,2-dimethyltrimethylendiisobutyrat
  • Bis(2-methylpropionic acid)2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
  • Bis(isobutyric acid)2,2,4-trimethylpentane-1,3-diyl ester
  • Bisisobutyric acid 2,2,4-trimethyl-1,3-pentanediyl
  • 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate,98%
  • 1,3-Pentanediol, 2,2,4-trimethyl-, diis
  • 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate (TXIB)
  • 2,2,4-TriMethylpentane-1,3-diyl bis(2-Methylpropanoate)
  • TriMethyl-1,3-pentanediol diisobu
  • Propanoic acid,2-Methyl-, 1,1'-[2,2-diMethyl-1-(1-Methylethyl)-1,3-propanediyl] ester
  • 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate >=98.5%
  • 2,2,4-trimethyl-, diisobutyrate
  • 1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate
  • 2,2,4-Trimethylpentanediol-1,3-diisobutyrate
  • 3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate
  • 3-pentanediol,2,2,4-trimethyl-diisobutyrate(ester)
  • Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester
  • isobutyricacid,1-isopropyl-2,2-dimethyltrimethyleneester
  • Kodaflex txib
  • kodaflextxib
  • Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester
  • Propanoicacid,2-methyl-,2,2-dimethyl-1-(1-methylethyl)-1,3-propanediylester
  • Txib
  • 1-isopropyl-2,2-dimethyltrimethylene diisobutyrate
  • TRIMETHYL PENTANYL DIISOBUTYRATE
  • 2,2,4-Trimethyl-1,3-pentanediol-diisobutyrate@1000 μg/mL in Hexane
  • TMDIB
  • Pentanediol Diisobutyrate
  • 3-pentanediol diisobutyrate
  • TXIB in acetonitrile
  • TXIB in methanol
  • C17883150 2,2,4-Trimethyl-1,3-pentanedioLdii
  • Hexadecyl Alcohol Ester
  • 6846-50-0
  • CH32CHCHO2CCHCH32CCH32CH2O2CCHCH32
  • C12 to C63
  • Carbonyl Compounds
  • Building Blocks
  • Organic Building Blocks
  • Esters
  • Building Blocks
  • C12 to C63
  • Carbonyl Compounds
  • Chemical Synthesis
  • Esters
  • Organic Building Blocks