Thyme oil structure

Thyme oil

3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol

Also Known As: Thyme oil|Thyme oil red|Oil of thyme|Thyme absolute|Thyme extract|Thyme white|White thyme oil|Thym oil|Red thyme oil|Thyme red oil|Oils, thyme|Spanish thyme oil|Thyme oil, white|Thymian oel [German]|Caswell No. 618F|Oil thymus vulgaris or zygus|FEMA No. 3064|FEMA No. 3065|LS-2455|Thyme oil white (Thymus zigis L.)|EPA Pesticide Chemical Code 597800|Thyme oil (Thymus vulgaris or zigis L.)|3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol|THYME OIL (THYMUS VULGARIS L. AND T. ZYGIS VAR. GRACILIS BOISS.)|3,7-dimethylocta-1,6-dien-3-ol; 2-(4-methylcyclohex-3-en-1-yl)propan-2-ol; 1-methyl-4-propan-2-ylbenzene; 2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol; 5-methyl-2-propan-2-ylphenol

CAS: 8007-46-3
Molecular Formula C50H82O4
Molecular Weight 746.62134 g/mol
LogP 13.30944
Topological Polar Surface Area 80.92 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 4
Rotatable Bonds 8
Exact Mass 746.62134
Monoisotopic Mass 746.62134
Heavy Atoms 54
Complexity 1460.9174

Chemical Identifiers

CAS Number 8007-46-3
SMILES CC1=CCC(CC1)C(C)(C)O.CC1=CC=C(C=C1)C(C)C.CC1=CC(=C(C=C1)C(C)C)O.CC(C)C12CCC(C1C2)(C)O.CC(=CCCC(C)(C=C)O)C

Product Overview

Thyme oil (CAS 8007-46-3), with molecular formula C50H82O4 and molecular weight 746.62134 g/mol. IUPAC: 3,7-dimethylocta-1,6-dien-3-ol;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol;1-methyl-4-propan-2-ylbenzene;2-methyl-5-propan-2-ylbicyclo[3.1.0]hexan-2-ol;5-methyl-2-propan-2-ylphenol.

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