ChemicalBook > CAS DataBase List > Dodecanedioic acid, Mono(1,1-diMethylethyl) ester

Dodecanedioic acid, Mono(1,1-diMethylethyl) ester

Product Name
Dodecanedioic acid, Mono(1,1-diMethylethyl) ester
CAS No.
234081-98-2
Chemical Name
Dodecanedioic acid, Mono(1,1-diMethylethyl) ester
Synonyms
tert-Butyl Hydrogen Dodecanedioate;Dodecanedioic acid 1-tert-butyl ester;12-(tert-Butoxy)-12-oxododecanoic acid;Dodecanedioic Acid Mono-tert-butyl Ester;Dodecanedioic acid, 1-(1,1-dimethylethyl) ester;12-(tert-Butoxy)-12-oxododecanoic acid - [B72866];1,10-decanedicarboxylic acid mono-tert-butyl ester;Dodecanedioic acid, Mono(1,1-diMethylethyl) ester;12-[(2-methylpropan-2-yl)oxy]-12-oxododecanoic acid;DODECANEDIOIC ACID, MONO(1,1-DIMETHYLETHYL) ESTER (CAS NO.234081-98-2)
CBNumber
CB02703695
Molecular Formula
C16H30O4
Formula Weight
286.41
MOL File
234081-98-2.mol
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Dodecanedioic acid, Mono(1,1-diMethylethyl) ester Property

Melting point:
40 °C
Boiling point:
389.1±15.0 °C(Predicted)
Density 
0.984±0.06 g/cm3(Predicted)
storage temp. 
Sealed in dry,Room Temperature
solubility 
soluble in Toluene
form 
powder to crystal
pka
4.78±0.10(Predicted)
color 
White to Light yellow
InChI
InChI=1S/C16H30O4/c1-16(2,3)20-15(19)13-11-9-7-5-4-6-8-10-12-14(17)18/h4-13H2,1-3H3,(H,17,18)
InChIKey
QFGCFKJIPBRJGM-UHFFFAOYSA-N
SMILES
C(OC(C)(C)C)(=O)CCCCCCCCCCC(O)=O
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Safety

HS Code 
2917.19.7050
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

TCI Chemical
Product number
B5926
Product name
tert-Butyl Hydrogen Dodecanedioate
Packaging
1G
Price
$202
Updated
2025/07/31
TCI Chemical
Product number
B5926
Product name
tert-Butyl Hydrogen Dodecanedioate
Packaging
5G
Price
$714
Updated
2025/07/31
Chem-Impex
Product number
39709
Product name
tert-Butylhydrogendodecanedioate,98%(GC)
Purity
98%(GC)
Packaging
5G
Price
$726.88
Updated
2021/12/16
Matrix Scientific
Product number
116209
Product name
12-(tert-Butoxy)-12-oxododecanoic acid
Purity
>95%
Packaging
5g
Price
$1367
Updated
2021/12/16
Oakwood
Product number
098596
Product name
12-(tert-Butoxy)-12-oxododecanoicacid
Purity
97%
Packaging
5g
Price
$1760
Updated
2021/12/16
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Dodecanedioic acid, Mono(1,1-diMethylethyl) ester Chemical Properties,Usage,Production

Synthesis

693-23-2

75-65-0

234081-98-2

Mono-tert-butyl dodecanedioate (32) was synthesized as follows: dodecanedioic acid (31, 15 g, 65 mmol), tert-butanol (64 mL, 650 mmol), and catalytic amount of DMAP were dissolved in THF (80 mL) at 0 °C. Subsequently, a solution of DCC (16 g, 78 mmol) in THF (20 mL) was slowly added. After the addition was completed, the reaction mixture was gradually warmed to room temperature and stirred continuously for 24 hours. Upon completion of the reaction, the insoluble DCU by-products were removed by filtration. The filtrate was concentrated and purified by column chromatography (elution gradient: 20% EtOAc/hexane to 40% EtOAc/hexane) to afford a colorless solid product (9 g, 50% yield). The characterization data of the product were consistent with the expected chemical structure and molecular formula.

References

[1] Journal of the American Chemical Society, 2004, vol. 126, # 39, p. 12196 - 12197
[2] Patent: US2006/241071, 2006, A1. Location in patent: Page/Page column 59-60
[3] Chemistry and Physics of Lipids, 2002, vol. 119, # 1-2, p. 51 - 68
[4] Chemical Communications, 1999, # 9, p. 823 - 824

Dodecanedioic acid, Mono(1,1-diMethylethyl) ester Preparation Products And Raw materials

Raw materials

Preparation Products

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234081-98-2, Dodecanedioic acid, Mono(1,1-diMethylethyl) esterRelated Search:

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