alpha-Thujone

  • Định danh

    Số CAS
    546-80-5

    Công thức phân tử
    C10H16O

    SMILES
    C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C

    Chỉ số lưu (RI)

    • DB5: 1112.0
    • Carbowax: 1429.0

  • Thuộc tính

    XLogP3-AA
    2.3 Tan tốt trong DEP, BB, MMB

    Khối lượng phân tử
    152.23 g/mol

    Nhiệt độ tan chảy

    • < 25 °C

    Nhiệt độ sôi

    • 200.00 to 201.00 °C. @ 760.00 mm Hg

  • Các tên gọi

    • alpha-Thujone
    • 546-80-5
    • (-)-alpha-thujone
    • THUJONE
    • alpha-(-)-Thujone
    • Thujon
    • l-Thujone
    • (-)-3-Isothujone
    • (-)-3-thujanone
    • Absinthol
    • UNII-R0SQ9G0DU5
    • EINECS 208-912-2
    • NSC 93742
    • BRN 4660369
    • CCRIS 8582
    • CHEBI:9577
    • (1S,4R,5R)-thujan-3-one
    • 3-Thujanone, (-)-
    • (+-)-Isothujone
    • (1S,4R,5R)-(-)-3-thujanone
    • MFCD00001313
    • 59573-80-7
    • R0SQ9G0DU5
    • 3-Thujanone, (1S,4R,5R)-(-)-
    • DTXSID3026148
    • (1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
    • (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
    • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
    • Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
    • (-)-Thujone
    • (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
    • (1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
    • dl-Thujone
    • racemic 3-Isothujone
    • .alpha.-Thujone
    • (-)-|A-Thujone
    • 86HK1QRJ4K
    • 3-Thujanone, (+-)-
    • CHEBI:50040
    • (1S,4R,5R)-1-isopropyl-4-methylbicyclo(3.1.0)hexan-3-one
    • (1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one
    • NSC-93742
    • L-alpha-Thujone
    • (1S-(1alpha,4alpha,5alpha))-4-methyl-1-(1-methylethyl)bicyclo(3.1.0)hexan-3-one
    • [1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one
    • ??-Thujone
    • (-)-trans-Thujone
    • (-)-a-Thujone
    • ALFA-THUJONE
    • (?)-|A-Thujone
    • (-)- alpha -Thujone
    • (-)-alpha,beta-Thujone
    • a-(-)-THUJONE
    • THUJONE, .ALPHA.-
    • MLS001065588
    • SCHEMBL122447
    • .ALPHA.-THUJONE [MI]
    • DTXCID206148
    • GTPL5344
    • CHEMBL1444078
    • USMNOWBWPHYOEA-MRTMQBJTSA-N
    • HMS3039B05
    • (1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-one
    • Tox21_200868
    • (-)-Thujone ((-)-alpha-Thujone)
    • (1S,4R,5R)- 3-THUJANONE
    • AKOS040759330
    • LMPR0102120019
    • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1-alpha,4-alpha,5-alpha)-(+-)-
    • NCGC00091438-01
    • NCGC00091438-02
    • NCGC00164360-01
    • NCGC00258422-01
    • CAS-546-80-5
    • MS-22862
    • SMR000568469
    • (-)-alpha-Thujone, >=96.0% (GC)
    • 1ST163943
    • HY-121618
    • CS-0082886
    • NS00003614
    • C09906
    • Q421838
    • (-)-alpha-Thujone, (1S,4R)-1-Isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
    • BICYCLO(3.1.0)HEXAN-3-ONE, 4-METHYL-1-(1-METHYLETHYL)-, (1S,5R)-
1 3

Thực vật

Tên CAS Thực vật Tỷ lệ
Achillea abrotanoides Achillea abrotanoides (Vis.) Vis., fam. Asteraceae (Compositae) 0.3%
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 1.5%
Lanyana (Oregon-USA) Artemisia afra Jacq., fam. Asteraceae (Compositae) 54.2%
Artemisia nilagirica (vulgaris) (India) 2 Artemisia nilagirica (C.B. Clarks) Pamp. (A. vulgaris Hook f.), Asteraceae 56.3%
Artemisia vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 1.82%
Artemisia nilagirica (vulgaris) (India) 1 Artemisia nilagirica (C.B. Clarks) Pamp. (A. vulgaris Hook f.), Asteraceae 0.58%
Balsamite/Costmary Chrysanthemum balsamita L., fam. Asteraceae (Compositae) 0.78%
Basil (Bulgaria) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.2%
Basil (Egypt) 1 (linalool-type) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.11%
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.01%
Cedarleaf 3 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 48.73%
Cedarleaf 2 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 39.1%
Cistus leaf 8016-26-0 Cistus ladaniferus L. var. maculatus Dun, fam. Cistaceae 0.8%
Eucalyptus globulus (Hungary) fruit 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.24%
Spike lavender (Spain) 3 8016-78-2 Lavandula latifolia Medikus (L. spica D.C.), fam. Lamiaceae (Labiatae) 0.01%
Hyssop (France) 1 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.05%
Hyssop (USA) 8006-83-5 Hyssopus officinalis L., fam. Lamiaceae (Labiatae) 0.08%
Juniperus foetidissima leaf Juniperus foetidissima Willd., fam. Cupressaceae 18.6%
Lanyana (South Africa) 1 Artemisia afra Jacq., fam. Asteraceae (Compositae) 52.5%
Ocimum gratissimum (Brazil) 1 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.5%
Olibanum, Indian (India) 8016-36-2 Boswellia serrata Roxb. ex Colebr., fam. Burseraceae 1.76%
Sage, dalmatian (Hungary) 1 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 18.3%
Sage, dalmatian (Italy) 3 8022-56-8 Salvia officinalis L., fam. Lamiaceae (Labiatae) 26.5%
Tansy (Belgium) 8016-87-3 Tanacetum vulgare L., fam. Asteraceae (Compositae) 1.8%
Tarragon (Italy) 1 8016-88-4 Artemisia dracunculus L. (French type), fam. Asteraceae (Compositae) 0.09%
Wormwood (Mugwort) (India) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 22.0%
Wormwood Roman, headspace Artemisia pontica L., fam. Asteraceae (Compositae) 14.3%
Wormwood Roman Artemisia pontica L., fam. Asteraceae (Compositae) 13.5%
Ziziphora hispanica Ziziphora hispanica L., fam. Lamiaceae (Labiatae) 0.21%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Melittis melissophyllum Melittis melissophylum L., ssp. albida Guss, fam. Lamiaceae (Labiatae) 0.39%
Sage, dalmatian var. Albiflora (USA) 8022-56-8 Salvia officinalis L. var. Albiflora, fam. Lamiaceae (Labiatae) 1.55%
Sage, dalmatian var. Berggarten (USA) 8022-56-8 Salvia officinalis L. var. Berggarten, fam. Lamiaceae (Labiatae) 6.05%
Sage, dalmatian var. Compacta (USA) 8022-56-8 Salvia officinalis L. var. Compacta, fam. Lamiaceae (Labiatae) 4.55%
Sage, dalmatian var. Icterina (USA) 8022-56-8 Salvia officinalis L. var. Icterina, fam. Lamiaceae (Labiatae) 11.43%
Sage, dalmatian var. Purpurascens (USA) 8022-56-8 Salvia officinalis L. var. Purpurascens, fam Lamiaceae (Labiatae) 17.01%
Sage, dalmatian var. Rubriflora (USA) 8022-56-8 Salvia officinalis L. var. Rubriflora, fam. Lamiaceae (Labiatae) 27.12%
Sage, dalmatian var. Tricolor (USA) 8022-56-8 Salvia officinalis L. var. Tricolor, fam. Lamiaceae (Labiatae) 14.2%
Sage, dalmatian var. Woodcote Farm (USA) 8022-56-8 Salvia officinalis L. var. Woodcote Farm, fam. Lamiaceae (Labiatae) 10.6%
Thyme (Italy) 1 8007-46-3 Thymus vulgaris L., fam. Lamiaceae (Labiatae) 0.25%
Yarrow (Canada) 1 84082-83-7 Achillea millefolium L., fam. Asteraceae (Compositae) 1.0%
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 5.2%
Lemongrass (Turkey) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 0.1%
Tagetes 2 8016-84-0 Tagetes minuta L. (Marigold), fam. Asteraceae (Compositae) 0.01%
Thyme red (Spain) 3 8007-46-3 Thymus zygis L., fam. Lamiaceae (Labiatae) 0.01%
Roman chamomile (Italy) 5 8015-92-7 Anthemis nobilis L., fam. Asteraceae (Compositae) 0.4%
Santolina chamaecyparisus (Spain) 84961-58-0 Santolina chamaecyparisus L., ssp. squarrosa DC., fam. Asteraceae 0.2%
Wormwood (Mugwort) (Germany) 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 2.76%
Wormwood (Mugwort) (U.S.A.) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.87%
Wormwood (Mugwort) (Italy) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.15%