626-89-1
626-89-1
Chemical Structure
4-Methyl-1-pentanol
Synonym(s): Isohexanol; Isohexyl alcohol
- CAS No.: 626-89-1
- Formula:C6H14O
- Molecular Weight:102.18
IUPAC Name: 4-methylpentan-1-ol
InChIKey: PCWGTDULNUVNBN-UHFFFAOYSA-N
SMILES: CC(C)CCCO
Biological Activity: 4-Methyl-1-pentanol is a volatile aroma component of red wine, which is often used in the production and blending of wine. 4-Methyl-1-pentanol can also be used as an alcohol antagonist to antagonize the effects of ethanol and 1-butanol on cell-cell adhesion, and is used in the study of fetal alcohol syndrome[1][2][3][4][5].
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4-Methyl-1-pentanol | 98.35% | 4-Methyl-1-pentanol is a volatile aroma component of red wine, which is often used in the production and blending of wine. 4-Methyl-1-pentanol can also be used as an alcohol antagonist to antagonize the effects of ethanol and 1-butanol on cell-cell adhesion, and is used in the study of fetal alcohol syndrome. | ||||||||||||||||||||
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4-Methyl-1-pentanol (Standard) | ≥98% | 4-Methyl-1-pentanol is a volatile aroma component of red wine, which is often used in the production and blending of wine. 4-Methyl-1-pentanol can also be used as an alcohol antagonist to antagonize the effects of ethanol and 1-butanol on cell-cell adhesion, and is used in the study of fetal alcohol syndrome. | ||||||||||||||||||||
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4-Methyl-1-pentanol-d7 | 4-Methyl-1-pentanol-d7 (Isohexanol-d7) is the deuterium labeled 4-Methyl-1-pentanol (HY-W007511). 4-Methyl-1-pentanol is a volatile aroma component of red wine, which is often used in the production and blending of wine. 4-Methyl-1-pentanol can also be used as an alcohol antagonist to antagonize the effects of ethanol and 1-butanol on cell-cell adhesion, and is used in the study of fetal alcohol syndrome. | |||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.85
HY-W1427803-Methylpentan-1-ol -
Similarity Score 0.82
HY-W0101763,7-Dimethyl-1-octanol -
Similarity Score 0.81
HY-W1586163-Methyl-1-hexanol -
Similarity Score 0.77
HY-B1233Octodrine -
Similarity Score 0.77
HY-W0158792-Heptanol -
Similarity Score 0.77
HY-77490(R)-(-)-1,3-Butanediol -
Similarity Score 0.77
HY-77490A1,3-Butanediol -
Similarity Score 0.77
HY-W1015886-Methylheptanoic acid -
Similarity Score 0.76
HY-148614Isocaproaldehyde -
Explore the MedChemAI to find more analogs
References
- [1]. Wilkemeyer MF, et al. Novel antagonists of alcohol inhibition of l1-mediated cell adhesion: multiple mechanisms of action. Mol Pharmacol. 2002 Nov;62(5):1053-60. [Content Brief]
- [2]. Selli S, et, al. Volatile composition of red wine from cv. Kalecik Karasι grown in central Anatolia
- [3]. SKelland M A, et al. Solvent Synergists for Improved Kinetic Hydrate Inhibitor Performance of Poly (N-vinylcaprolactam)[J]. Energy & Fuels, 2020, 34(2): 1653-1663.
- [4]. Singh A, et al. Kinetic Hydrate Inhibition by Lambda-Carrageenan and Its Synergistic Compositions with Ethylene Glycol, 4-Methyl-1-Pentanol, Polyvinylpyrrolidone, and Polyvinylcaprolactam[J]. Energy & Fuels, 2023, 37(13): 9368-9383.
