2,2,4-trimethyl-1,3-pentanediol diisobutyrate: plasticizer in food packing materials; RN given refers to parent cpd; RN in Chemline for Kodaflex: 35763-12-3; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 23284 |
| CHEMBL ID | 3183335 |
| CHEBI ID | 89871 |
| SCHEMBL ID | 43993 |
| MeSH ID | M0041734 |
| Synonym |
|---|
| LS-14544 |
| propanoic acid, 2-methyl-, 2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl ester |
| 2,2,4-trimethyl-1,3-pentanediol diisobutyrate |
| brn 1878083 |
| 1-isopropyl-2,2-dimethyltrimethylene diisobutyrate |
| isobutyric acid, 1-isopropyl-2,2-dimethyltrimethylene ester |
| 1,3-pentanediol, 2,2,4-trimethyl-, diisobutyrate (ester) |
| txib |
| einecs 229-934-9 |
| 2,2,4-trimethyl-1,3-pentanediol ester |
| kodaflex txib |
| 2,2,4-trimethylpentanediol-1,3-diisobutyrate |
| 2,2,4-trimethyl-1,3-pentanediol diisobutyrate, >=98.5% |
| NCGC00164194-01 |
| 2,2,4-trimethylpentane-1,3-diyl bis(2-methylpropanoate) |
| 6846-50-0 |
| [2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate |
| T0997 |
| NCGC00164194-03 |
| NCGC00164194-02 |
| NCGC00260003-01 |
| tox21_300316 |
| NCGC00254147-01 |
| tox21_202454 |
| dtxcid807635 |
| dtxsid1027635 , |
| cas-6846-50-0 |
| hsdb 8097 |
| unii-4kza479dwq |
| propanoic acid, 2-methyl-, 1,1'-(2,2-dimethyl-1-(1-methylethyl)-1,3-propanediyl) ester |
| ec 229-934-9 |
| 4kza479dwq , |
| FT-0609109 |
| AKOS015900127 |
| SCHEMBL43993 |
| (+/-)-trimethyl pentanyl diisobutyrate |
| 2,2,4-trimethyl-1,3-pentanediyl diisobutyrate |
| eastman txib |
| trimethyl pentanyl diisobutyrate |
| trimethyl pentanyl diisobutyrate [inci] |
| 2,2,4-trimethyl-1,3-pentanediol di(isopropylformate) |
| trimethyl pentanyl diisobutyrate, (+/-)- |
| 1,3-pentanediol, 2,2,4-trimethyl-, diisobutyrate |
| texanol isobutyrate |
| texanol isobutyrate [mi] |
| 3-(isobutyryloxy)-1-isopropyl-2,2-dimethylpropyl 2-methylpropanoate # |
| OMVSWZDEEGIJJI-UHFFFAOYSA-N |
| W-104669 |
| chebi:89871 , |
| CHEMBL3183335 |
| mfcd00059267 |
| 2,2,4-trimethyl-1,3-pentadienol diisobutyrate |
| 2,2,4-trimethyl-1,3-pentanediol diisobutyrate, analytical standard |
| 2,2,4-trimethyl-1,3-pentandiyl-bis(2-methylpropanoat) |
| 2,2,4-trimethylpentane-1,3-diol diisobutyrate |
| trimethyl-1,3-pentanediol diisobutyrate |
| Q27162056 |
| 2,2,4-trimethylpentane-1,3-diylbis(2-methylpropanoate) |
| (r)-?-(p-methylphenyl)alanine |
| CS-W012217 |
| E82998 |
| Product Category | Products |
|---|---|
| Beauty & Personal Care | 6 |
| Class | Description |
|---|---|
| diester | A diester is a compound containing two ester groups. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| acetylcholinesterase | Homo sapiens (human) | Potency | 71.6173 | 0.0025 | 41.7960 | 15,848.9004 | AID1347395 |
| estrogen receptor 2 (ER beta) | Homo sapiens (human) | Potency | 29.5712 | 0.0006 | 57.9133 | 22,387.1992 | AID1259377; AID1259394 |
| pregnane X nuclear receptor | Homo sapiens (human) | Potency | 70.7946 | 0.0054 | 28.0263 | 1,258.9301 | AID720659 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 16.7441 | 0.0002 | 29.3054 | 16,493.5996 | AID1259383; AID743075; AID743077; AID743078; AID743079; AID743080 |
| peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 55.4321 | 0.0010 | 19.4141 | 70.9645 | AID743191 |
| thyroid stimulating hormone receptor | Homo sapiens (human) | Potency | 48.1422 | 0.0016 | 28.0151 | 77.1139 | AID1259385; AID1259395 |
| nuclear factor of kappa light polypeptide gene enhancer in B-cells 1 (p105), isoform CRA_a | Homo sapiens (human) | Potency | 62.1958 | 19.7391 | 45.9784 | 64.9432 | AID1159509 |
| thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 69.1480 | 0.0003 | 23.4451 | 159.6830 | AID743065 |
| heat shock protein beta-1 | Homo sapiens (human) | Potency | 31.1717 | 0.0420 | 27.3789 | 61.6448 | AID743210 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 27.3060 | 0.0006 | 27.2152 | 1,122.0200 | AID720636 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 7.6919 | 0.0023 | 19.5956 | 74.0614 | AID651631; AID720552 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 1 (10.00) | 18.7374 |
| 1990's | 0 (0.00) | 18.2507 |
| 2000's | 3 (30.00) | 29.6817 |
| 2010's | 4 (40.00) | 24.3611 |
| 2020's | 2 (20.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be strong demand-to-supply ratio for research on this compound.
| This Compound (36.36) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 0 (0.00%) | 6.00% |
| Case Studies | 1 (10.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 9 (90.00%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||