2,4,4-Trimethyl-1-pentanol - CAS 16325-63-6
Catalog: |
BB011979 |
Product Name: |
2,4,4-Trimethyl-1-pentanol |
CAS: |
16325-63-6 |
Synonyms: |
2,4,4-trimethylpentan-1-ol |
IUPAC Name: | 2,4,4-trimethylpentan-1-ol |
Description: | 2,4,4-Trimethyl-1-pentanol (CAS# 16325-63-6) is the principal metabolite of 2,2,4-trimethylpentane (T796535), a general solvent used in organic synthesis.. |
Molecular Weight: | 130.23 |
Molecular Formula: | C8H18O |
Canonical SMILES: | CC(CC(C)(C)C)CO |
InChI: | InChI=1S/C8H18O/c1-7(6-9)5-8(2,3)4/h7,9H,5-6H2,1-4H3 |
InChI Key: | ZNRVRWHPZZOTIE-UHFFFAOYSA-N |
Boiling Point: | 169.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 0.818 g/mL at 25 °C (lit.) |
MDL: | MFCD00004741 |
LogP: | 2.05100 |
GHS Hazard Statement: | H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021154959-A1 | Molecular mobility enhancer or molecular drying enhancer | 20200128 |
WO-2020226045-A1 | Thin-film transistor and method for manufacturing same | 20190509 |
FR-3092332-A1 | USE OF ESTERAMINE TO PREVENT AGGLOMERATION OF GAS HYDRATES | 20190206 |
WO-2020161407-A1 | Composition for preventing agglomeration of gas hydrates | 20190206 |
WO-2020161408-A1 | Use of esteramine for preventing the agglomeration of gas hydrates | 20190206 |
PMID | Publication Date | Title | Journal |
15281945 | 20040101 | Degradation of isooctane by Mycobacterium austroafricanum IFP 2173: growth and catabolic pathway | Journal of applied microbiology |
Complexity: | 71.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 130.135765193 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 130.135765193 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 20.2 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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