Isopentanol

ScientificNameLabel

Isopentanol
PHCD compound ID :	589
Chemical Names :	3-Methyl-1-butanol , 1-butanol-3-methyl , isoamyl alcohol , 3-Methylbutan-1-ol , 3-methylbutan-1-o1 , 3-methylbutanol , Isopentanol , 3-Methyl butanol
Molecular Formula :	C5H12O1
Molecular Weight :	88.088815

More Details :

Names & Synonyms:	3-methylbutan-1-ol , 3-methyl-1-butanol
Smiles:	OCCC(C)C
InChi :	InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
InChi Key :	InChIKey=PHTQWCKDNZKARW-UHFFFAOYSA-N
PubChem ID :	31260

Rotatable bond count :	2	Rule of five :	0
Hydrogen bond acceptor count :	1	Ionization potential :	10.465720
Hydrogen bond donor count :	1	Electric dipole moment :	2.087
XLogP :	1.359	VDW volume :	103.826609
Molecular weight :	88.088815	HOMO-LUMO gap :	13.409000

Herb list :

- Satureja khuzestanica - مرزه خوزستانی

Bistort, Dragonwort - Polygonum bistorta - هفت بند اروپائی، انجبار

Cacao tree - Theobroma cacao - کاکائو

Clary, Clary sage - Salvia sclarea - مریم گلی

Corn, Maize - Zea mays - ذرت، بلال

Fennel - Foeniculum vulgare - رازیانه

Fig - Ficus carica - انجیر، شال انجیر

Grape, Vine grape - Vitis vinifera - انگور

Hyssop - Hyssopus angustifolius - زوفا

Olive - Olea europaea - زیتون

Opium poppy - Papaver somniferum - خشخاش، تریاک

Pumpkin, Gourd - Cucurbita pepo - کدومسمایی

Real tobacco - Nicotiana rustica - توتون

Strawberry - Fragaria vesca - توت فرنگی

Sumac - Rhus coriaria - سماق

Tamarind, Indian date - Tamarindus indica - تمرهندی

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Yellow sweet clover, Yellow melilot - Melilotus officinalis - یونجه زرد، اکلیل الملک

Refrences & Litretures:


35. Journal:'Food Chemistry' Year:'2010' Volume:'123' Page:'548' DOI:'10.1016/j.foodchem.2010.04.064' Title:'Volatile pro?ling of Ficus carica varieties by HS-SPME and GC–IT-MS'
37. Journal:'J. Agric. Food Chem' Year:'2010' Volume:'58' Page:'3393' DOI:'10.1021/jf9039759' Title:'Chemical Assessment and in Vitro Antioxidant Capacity of Ficus carica Latex'
40. Journal:'J. Agric. Food Chem' Year:'2003' Volume:'51' Page:'5408' DOI:'10.1021/jf030087i' Title:'Aroma Composition of Vitis vinifera Cv. Tannat: the Typical Red Wine from Uruguay'
72. Journal:'Industrial Crops and Products' Year:'2006' Volume:'24' Page:'253' DOI:'10.1016/j.indcrop.2006.06.011' Title:'Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition'
251. Journal:'Journal of Essential Oil Research' Year:'2004' Volume:'16' Page:'318' DOI:'10.1080/10412905.2004.9698731' Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
262. Journal:'J Sci Food Agric' Year:'1997' Volume:'74' Page:'421' DOI:'' Title:'Strawberry Flavour: Analysis and Biosynthesis'
317. Journal:'J. Agric. Food Chem' Year:'2005' Volume:'53' Page:'8310' DOI:'10.1021/jf0580869' Title:'Analysis of Volatile Compounds and Triglycerides of Seed Oils Extracted from Different Poppy Varieties (Papaver somniferum L.)'
339. Journal:'J. Agric. Food Chem' Year:'1978' Volume:'26' Page:'1290' DOI:'10.1021/jf60220a012' Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
346. Journal:'African Journal of Biotechnology' Year:'2008' Volume:'7' Page:'4364' DOI:'' Title:'Composition and antimicrobial properties of essential oil of Foeniculum vulgare'
395. Journal:'Journal of Essential Oil Bearing Plants' Year:'2009' Volume:'12' Page:'111' DOI:'10.1080/0972060X.2009.10643700' Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
400. Journal:'LWT - Food Science and Technology' Year:'2008' Volume:'41' Page:'2017' DOI:'10.1016/j.lwt.2007.12.002' Title:'Volatile compounds in uninoculated and inoculated table olives with Lactobacillus plantarum (Olea europaea L., cv. Moresca and Kalamata)'
401. Journal:'Food Chemistry' Year:'2008' Volume:'107' Page:'1522' DOI:'org/10.1016/j.foodchem.2007.10.008' Title:'Volatile compounds in table olives (Olea EuropaeaL., Nocellara del Belice cultivar)'
444. Journal:'FLAVOUR AND FRAGRANCE JOURNAL' Year:'1993' Volume:'8' Page:'209' DOI:'10.1002/ffj.2730080408' Title:'The Essential Oil of Rhus coriaria L. Fruits'
498. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'313' DOI:'10.1080/0972060X.2010.10643826' Title:'Chemical Composition of the Leaves Essential Oil of Melilotus officinalis (L.) Pallas from Colombia'
567. Journal:'Food Research International' Year:'2011' Volume:'44' Page:'250' DOI:'10.1016/j.foodres.2010.10.028' Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
587. Journal:'Leffingwell Reports' Year:'2015' Volume:'7' Page:'1' DOI:'' Title:'Identification of the Volatile Constituents of Raw Pumpkin (Cucurbita pepo L.) by Dynamic Headspace Analyses'
589. Journal:'Food Chemistry' Year:'2004' Volume:'84' Page:'367' DOI:'10.1016/S0308-8146(03)00241-3' Title:'Changes in chemical composition of pumpkin seeds during the roasting process for production of pumpkin seed oil (Part 2: volatile compounds)'
687. Journal:'Iranian Journal of Pharmaceutical Research' Year:'2012' Volume:'11' Page:'1219' DOI:'' Title:'Hepatoprotective and Hypolipidemic Effects of Satureja Khuzestanica Essential Oil in Alloxan-induced Type 1 Diabetic Rats'
773. Journal:'CHEMISTRY & BIODIVERSITY' Year:'2012' Volume:'9' Page:'359' DOI:'10.1002/cbdv.201100326' Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
775. Journal:'J. BioSci. Biotech' Year:'2013' Volume:'2' Page:'39' DOI:'' Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
870. Journal:'International Journal of Food Studies' Year:'2020' Volume:'9' Page:'146' DOI:'10.7455/ijfs/9.1.2020.a2' Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'