OMVSWZDEEGIJJI-UHFFFAOYSA-N

Kodaflex txib

TXIB

AC1L2M0V

1-Isopropyl-2,2-dimethyltrimethylene diisobutyrate

SCHEMBL43993

0569AC

OR064298

DTXSID1027635

CHEMBL3183335

AK116054

DSSTox_CID_7635

CHEBI:89871

ST2415580

DSSTox_GSID_27635

MFCD00059267

Isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester

DSSTox_RID_78535

ST50826102

LS-101673

KB-224814

W-104669

AKOS015900127

BRN 1878083

2,2,4-Trimethylpentanediol-1,3-diisobutyrate

2,2,4-TRIMETHYL-1,3-PENTANEDIOLDIISOBUTYRATE

I14-10606

I14-19497

Tox21_300316

Tox21_202454

NCGC00164194-02

6846-50-0

NCGC00164194-01

NCGC00254147-01

NCGC00260003-01

NCGC00164194-03

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

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

2,2,4-trimethyl-1,3,-pentanedioldiisobutyrate

EINECS 229-934-9

53490-81-6

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

CAS-6846-50-0

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

MolPort-003-935-830

3-(Isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate #

2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate)

1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate

[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate

2,2,4-Trimethyl-1,3-pentanediol diisobutyrate, >=98.5%

1,3-Pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester)

2,2,4-TRIMETHYL-1-[(2-METHYLPROPANOYL)OXY]PENTAN-3-YL 2-METHYLPROPANOATE

Propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester

Propanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester

Propanoic acid, 2-methyl-, 1,1'-[2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl] ester

The Henry's Law constant for 2,2,4-trimethyl-1,3-pentanediol diisobutyrate is estimated as 1.1X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,2,4-trimethyl-1,3-pentanediol diisobutyrate is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 49 days(SRC). 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 8.5X10-3 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2010. Available from, as of Oct 26, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

In water, 11.4 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Oct 26, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm

Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2,2,4-trimethyl-1,3-pentanediol diisobutyrate can be estimated to be 490(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2,2,4-trimethyl-1,3-pentanediol diisobutyrate is expected to have low mobility in soil. 2,2,4-Trimethyl-1,3-pentanediol diisobutyrate concentrations were 500 and 120 ng/L in influent and effluent, respectively, using a soil column test and secondary treated City of Phoenix, AZ wastewater; the decrease in effluent was attributed mainly to adsorption(3).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Bouwer EJ et al; Water Res 15: 151-9 (1981)