Thymylacetate

ScientificNameLabel

Thymylacetate
PHCD compound ID :	848
Chemical Names :	Thymyl acetate , Thymol acetate , Thymylacetate , Thymyl asetae
Molecular Formula :	C12H16O2
Molecular Weight :	192.11503

More Details :

Names & Synonyms:	(2-isopropyl-5-methyl-phenyl) acetate , acetic acid (5-methyl-2-propan-2-ylphenyl) ester , (5-methyl-2-propan-2-ylphenyl) acetate , (5-methyl-2-propan-2-yl-phenyl) ethanoate , acetic acid (2-isopropyl-5-methyl-phenyl) ester
Smiles:	CC(=O)Oc1cc(C)ccc1C(C)C
InChi :	InChI=1S/C12H16O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h5-8H,1-4H3
InChi Key :	InChIKey=WFMIUXMJJBBOGJ-UHFFFAOYSA-N
PubChem ID :	68252

Rotatable bond count :	3	Rule of five :	0
Hydrogen bond acceptor count :	2	Ionization potential :	9.145117
Hydrogen bond donor count :	0	Electric dipole moment :	1.672
XLogP :	2.678	VDW volume :	199.886434
Molecular weight :	192.11503	HOMO-LUMO gap :	9.377000

Herb list :

- Thymus daenensis - آویشن دنائی

Erio yarrow - Achillea eriophora - بومادران

Jerusalem oak - Chenopodium botrys - درمنه ترکی، سلمک اورشلیمی

Origanum, Marjoram - Origanum vulgare - مرزنجوش، مرزنگوش

Pistacio - Pistacia vera - پسته

Saatar, Zataria - Zataria multiflora - آویشن شیرازی، ازکند

Savory - Satureja hortensis - مرزه

Thyme, Garden thyme - Thymus vulgaris - آويشن باغی

Yarrow - Achillea millefolium - بومادران

Refrences & Litretures:


66. Journal:'Food Chemistry' Year:'2008' Volume:'109' Page:'925' DOI:'10.1016/j.foodchem.2007.12.084' Title:'Comparison of microwave-assisted hydrodistillation with the traditional hydrodistillation method in the extraction of essential oils from Thymus vulgaris L'
67. Journal:'Innovative Food Science and Emerging Technologies' Year:'2012' Volume:'14' Page:'85' DOI:'10.1016/j.ifset.2012.01.002' Title:'Comparison of ohmic-assisted hydrodistillation with traditional hydrodistillation for the extraction of essential oils from Thymus vulgaris L'
70. Journal:'Journal of Pharmaceutical and Biomedical Analysis' Year:'2002' Volume:'29' Page:'691' DOI:'' Title:'GC/MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle'
81. Journal:'Jundishapur J Microbiol' Year:'2011' Volume:'4' Page:'S43' DOI:'' Title:'Antibacterial activity of Zataria multiflora Boiss essential oil against extended spectrum ? lactamase produced by urinary isolates of Klebsiella pneumonia'
83. Journal:'LWT - Food Science and Technology' Year:'2012' Volume:'46' Page:'477' DOI:'10.1016/j.lwt.2011.11.020' Title:'Characterization of antioxidant chitosan ?lm incorporated with Zataria multi?ora Boiss essential oil and grape seed extract'
84. Journal:'European Journal of Experimental Biology' Year:'2014' Volume:'4' Page:'253' DOI:'' Title:'Chemical composition and insecticidal activity of essential oil of Zataria multiflora Boiss. (Lamiaceae) against Ephestia kuehniella (Lepidoptera: Pyralidae)'
85. Journal:'Food and Chemical Toxicology' Year:'2010' Volume:'48' Page:'1562' DOI:'10.1016/j.fct.2010.03.025' Title:'Chemical composition of essential oils in Zataria multi?ora Boiss. From different parts of Iran and their radical scavenging and antimicrobial activity'
87. Journal:'Journal of Food Safety' Year:'2012' Volume:'' Page:'1' DOI:'10.1111/j.1745-4565.2012.00384.x' Title:'CHEMICAL COMPOSITION, RADICAL SCAVENGING, ANTIBACTERIAL AND ANTIFUNGAL ACTIVITIES OF ZATARIA MULTIFLORA BIOSS ESSENTIAL OIL AND AQUEOUS EXTRACT'
90. Journal:'Food Control' Year:'2007' Volume:'18' Page:'800' DOI:'10.1016/j.foodcont.2006.04.002' Title:'In vitro evaluation of antibacterial and antioxidant activities of the essential oil and methanol extract of endemic Zataria multi?ora Boiss'
91. Journal:'Eur. J. Lipid Sci. Technol' Year:'2008' Volume:'110' Page:'448' DOI:'10.1002/ejlt.200700239' Title:'Microwave-assisted hydrodistillation of essential oil from Zataria multiflora Boiss'
151. Journal:'Journal of Essential Oil Bearing Plants' Year:'2011' Volume:'14' Page:'617' DOI:'10.1080/0972060X.2011.10643980' Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
181. Journal:'Flavour Fragr. J' Year:'2002' Volume:'17' Page:'165' DOI:'10.1002/ffj.1074' Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
199. Journal:'Journal of Essential Oil Bearing Plants' Year:'2012' Volume:'15' Page:'602' DOI:'10.1080/0972060X.2012.10644094' Title:'Changes in Essential Oil Composition During Pistacia vera Leaves Development in Sfax Region (Tunisia)'
674. Journal:'Rev Bras Farmacogn' Year:'2014' Volume:'24' Page:'25' DOI:'10.1590/0102-695X2014241434' Title:'Analysis of essential oils of Origanum vulgare from six production areas of China and Pakistan'
679. Journal:'Natural Product Research' Year:'2012' Volume:'26' Page:'140' DOI:'10.1080/14786419.2010.535150' Title:'Chemical markers in Origanum vulgare L. from Kumaon Himalayas: a chemosystematic study'
681. Journal:'Cytology and Genetics' Year:'2014' Volume:'48' Page:'327' DOI:'' Title:'Antagonistic Effects of Satureja hortensis Essential Oil against AFB, on Human Lymphocytes in vitro'
78. Journal:'Evidence-Based Complementary and Alternative Medicine' Year:'2012' Volume:'2012' Page:'1' DOI:'10.1155/2012/728065' Title:'Essential Oils Composition and Antioxidant Properties of Three Thymus Species'
778. Journal:'Industrial Crops and Products' Year:'2013' Volume:'49' Page:'97' DOI:'10.1016/j.indcrop.2013.04.029' Title:'Influence of storage conditions on the essential oil composition ofThymus daenensis Celak'
781. Journal:'Digest Journal of Nanomaterials and Biostructures' Year:'2009' Volume:'4' Page:'835' DOI:'' Title:'CHEMICAL CHARACTERIZATION OF BIOACTIVE VOLATILE MOLECULES OF FOUR THYMUS SPECIES USING NANOSCALE INJECTION METHOD'
826. Journal:'Jeobp' Year:'2007' Volume:'10' Page:'314' DOI:'' Title:'Essential Oil Composition of Chenopodium botrys L. from Iran'