Safrole

  • Định danh

    Số CAS
    94-59-7

    Công thức phân tử
    C10H10O2

    SMILES
    C=CCC1=CC2=C(C=C1)OCO2

    Chỉ số lưu (RI)

    • DB5: 1290.14
    • Carbowax: 1882.6

  • Thuộc tính

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

    Khối lượng phân tử
    162.18 g/mol

    Nhiệt độ tan chảy

    • 52.2 °F (NTP, 1992)
    • 11.2 °C
    • 11.2 °C

    Nhiệt độ sôi

    • 450 to 453 °F at 760 mmHg (NTP, 1992)
    • 235 °C
    • 232–234 °C

    Nhiệt độ chớp cháy

    • 208 °F (NTP, 1992)
    • 212 °F (100 °C) (Closed cup)

    Độ tan

    • less than 1 mg/mL at 64 °F (NTP, 1992)
    • Insoluble in water
    • Very soluble in ethanol; miscible with ethyl ether, chloroform
    • Soluble in alcohol; slightly soluble in propylene glycol; insoluble in glycerol
    • Practically insoluble to insoluble in water
    • Soluble (in ethanol)

  • Các tên gọi

    • safrole
    • 94-59-7
    • Safrol
    • 5-Allyl-1,3-benzodioxole
    • Shikimole
    • Shikomol
    • Sassafras
    • Safrene
    • Safrole MF
    • Shikimol
    • 1,3-Benzodioxole, 5-(2-propenyl)-
    • Allylcatechol methylene ether
    • 5-(2-Propenyl)-1,3-benzodioxole
    • m-Allylpyrocatechin methylene ether
    • 4-Allyl-1,2-methylenedioxybenzene
    • Allylpyrocatechol methylene ether
    • 3,4-(Methylenedioxy)allylbenzene
    • 4-Allylpyrocatechol formaldehyde acetal
    • 5-prop-2-enyl-1,3-benzodioxole
    • 1-Allyl-3,4-methylenedioxybenzene
    • Allyldioxybenzene methylene ether
    • RCRA waste number U203
    • Caswell No. 729
    • 1,2-Methylenedioxy-4-allylbenzene
    • Benzene, 4-allyl-1,2-(methylenedioxy)-
    • 1,3-Benzodioxole, 5-allyl-
    • CCRIS 553
    • NSC 11831
    • Benzene, 1,2-methylenedioxy-4-allyl-
    • HSDB 2653
    • EINECS 202-345-4
    • EPA Pesticide Chemical Code 097901
    • UNII-RSB34337V9
    • BRN 0136380
    • CHEBI:8994
    • 3,4-methylenedioxy-allylbenzene
    • 3-(3,4-Methylenedioxyphenyl)prop-1-ene
    • DTXSID0021254
    • AI3-00514
    • Alda-89
    • RSB34337V9
    • NSC-11831
    • 4-Allyl-1,2-(methylenedioxy)benzene
    • DTXCID601254
    • (Allyldioxy)benzene methylene ether
    • 5-19-01-00553 (Beilstein Handbook Reference)
    • NSC11831
    • 1,2-methylenedioxy-4-allyl-Benzene
    • 1-Allyl-3,4-(methylenedioxy)benzene
    • (1,2-(Methylenedioxy)-4-allyl)benzene
    • M-ALLYL PYROCATECHINMETHYLENE ETHER
    • SAFROLE (IARC)
    • SAFROLE [IARC]
    • 1,3-Benzodioxole, 5-(2-propen-1-yl)-
    • 5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
    • SAFROLE (USP-RS)
    • SAFROLE [USP-RS]
    • 5-allyl-benzo(1,3)dioxole
    • 5-allyl-benzo[1,3]dioxole
    • Safroles
    • Safrols
    • CAS-94-59-7
    • [1,2-(Methylenedioxy)-4-allyl]benzene
    • RCRA waste no. U203
    • Safrol glass
    • 5-allylbenzo[d][1,3]dioxole
    • 4 Allyl 1,2 methylenedioxybenzene
    • 4-Allyl-1,2-methylenedioxybenzenes
    • Spectrum_001446
    • Safrole, >=97%
    • 1, 5-allyl-
    • SAFROLE [MI]
    • 3-[(3,4-Methylenedioxy)phenyl]-1-propene
    • Spectrum2_000775
    • Spectrum3_001105
    • Spectrum4_001939
    • Spectrum5_000843
    • 1, 5-(2-propenyl)-
    • 5-allyl-benzo-1,3-dioxole
    • SCHEMBL56828
    • BSPBio_002810
    • KBioGR_002319
    • KBioSS_001926
    • MLS001056251
    • DivK1c_001022
    • SPECTRUM1503620
    • SPBio_000850
    • 3,4-Methylenedioxy-allybenzene
    • Safrole, 10mg/ml in Methanol
    • CHEMBL242273
    • 5-?Allyl-?1,3-?benzodioxole
    • SCHEMBL13045858
    • HMS503M05
    • KBio1_001022
    • KBio2_001926
    • KBio2_004494
    • KBio2_007062
    • KBio3_002030
    • NINDS_001022
    • GLXC-10201
    • HMS1922E22
    • NCI-C00362
    • 3, 4-(Methylenedioxy)allylbenzene
    • 1-Allyl,3,4-methylenedioxy benzene
    • Tox21_202439
    • Tox21_300520
    • 1,2-(Methylenedioxy)-4-allylbenzene
    • WLN: T56 BO DO CHJ G2U1
    • (E)5-1-Propenyl]-1,3-benzodioxole
    • AKOS016017163
    • 1, 2-(Methylenedioxy)-4-allylbenzene
    • 4-?Allyl-?1,2-?methylenedioxybenzene
    • 4-Allyl-1, 2-(methylenedioxy)benzene
    • 5-Allyl-1,3-benzodioxolerlet DS Base
    • CCG-214763
    • FS-3451
    • SDCCGMLS-0066708.P001
    • 3-(3,4-methylendioxyphenyl)-1-propene
    • 5-(2-propen-1-yl)-1,3-benzodioxole
    • IDI1_001022
    • USEPA/OPP Pesticide Code: 097901
    • NCGC00091122-01
    • NCGC00091122-02
    • NCGC00091122-03
    • NCGC00091122-04
    • NCGC00091122-05
    • NCGC00091122-06
    • NCGC00091122-07
1 3

Thực vật

Tên CAS Thực vật Tỷ lệ
Anise seed 1 8007-70-3 Pimpinella anisum L., fam. Apiaceae (Umbelliferae) 0.53%
Ayou Aydendron barbeyana Mez. (Nectandra globosa Mez.), fam. Lauraceae 0.5%
Camphor (Japan) 8008-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 13.4%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.01%
Cinnamon bark 2a 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.02%
Cinnamon bark 3 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.04%
Cinnamon leaf 1 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.65%
Dracocephalum kotschyi Dracocephalum kotschyi Boiss., fam. Lamiaceae (Labiatae) 0.1%
Mace 1 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 1.9%
Mace 2 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 0.2%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.01%
Nutmeg (India) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.9%
Nutmeg (India) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.2%
Nutmeg (Sri Lanka) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.3%
Nutmeg (India) 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 3.3%
Nutmeg 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 2.05%
Sassafras leaf (Brazil) 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 44.97%
Sassafras wood (Brazil) 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 71.15%
Sassafras bark (Brazil) 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 44.52%
Sassafras (Brazil) 2 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 87.81%
Sassafras (Brazil) 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 92.9%
Peperomia rotundifolia Peperomia rotundifolia (L.) Kth. 7.25%
Pepper, black 1 8006-82-4 Piper nigrum L., fam. Piperaceae 0.1%
Santolina canescens Santolina rosmarinifolia (L.) ssp. canescens (Lag.) Nyman, fam. Asteraceae 0.1%
Santolina rosmarinifolia Santolina rosmarinifolia L.ssp.rosmarinifolia, fam.Asteraceae (Compositae) 0.55%
Scullcap Scutellaria lateriflora L., fam. Lamiaceae (Labiatae) 0.4%
Sequoia leaf 1 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 0.1%
Sequoia leaf 2 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 0.15%
Sequoia leaf 3 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 1.0%
Vanillosmopsis arborea leaf Vanillosmopsis arborea Baker, fam. Asteraceae (Compositae) 0.74%
Wintergreen (China) 68917-75-9 Gaultheria procumbens L., fam. Ericaceae 5.0%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.07%
Litsea cubeba (China: Yunnan) 1c 68855-99-2 Litsea cubeba (Lour.) Pers. (L. citrata Blume), fam. Lauraceae 0.9%
Nutmeg (West Indies) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.15%
Sassafras 1 8006-80-2 Sassafras albidum (Nutt.) Nees, fam. Lauraceae 80.0%
Swangi (Citrus hystrix) leaf (Thailand) 2b Citrus hystrix DC (Swangi), fam. Rutaceae 0.24%
Coriander fruit 1 8008-52-4 Coriandrum sativum L., fam. Apiaceae (Umbelliferae) 0.01%
Nutmeg 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.1%
Nutmeg 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 2.9%
Nutmeg (Indonesia) 3 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.75%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Star anise (China, Shangyou) 4 8007-70-3 Illicium verum Hooker fil., fam. Magnoliaceae (Illiciaceae) 0.14%
Nutmeg 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 2.94%
Nutmeg (Indonesia) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.97%
Nutmeg (Indonesia) 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.8%
Nutmeg (Indonesia) 2 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.3%
Nutmeg (Sri Lanka) 4 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.45%
Camphor (Madagascar) 1 8000-51-3 Cinnamomum camphora (L.) Nees et Ebermaier, fam. Lauraceae 0.2%
Cinnamon bark 1 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.01%
Cinnamon leaf (Madagascar) 1 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.3%