3-n-Butylphthalide

  • Identifiers

    CAS mumber
    6066-49-5

    Molecular formula
    C12H14O2

    SMILES
    CCCCC1C2=CC=CC=C2C(=O)O1

    Retention indicies (RI)

    • Carbowax: 2557.5

  • Properties

    XLogP3-AA
    2.8 Well soluble in DEP, BB, MMB

    Molecular weight
    190.24 g/mol

    Boiling points

    • 177.00 to 178.00 °C. @ 15.00 mm Hg

    Solubilities

    • Slightly soluble in water; soluble in oil
    • soluble (in ethanol)

  • Synonyms

    • Butylphthalide
    • 6066-49-5
    • 3-n-Butylphthalide
    • 3-BUTYLPHTHALIDE
    • 3-butylisobenzofuran-1(3H)-one
    • Phthalide, 3-butyl-
    • 1(3H)-Isobenzofuranone, 3-butyl-
    • 3-N-BUTYLPHATHLIDE
    • 3-Butyl-1(3H)-isobenzofuranone
    • FEMA No. 3334
    • Butylphthalide [INN]
    • dl-3-n-butylphthalide
    • CCRIS 7107
    • 3-butyl-3H-2-benzofuran-1-one
    • EINECS 228-000-8
    • UNII-822Q956KGM
    • 822Q956KGM
    • DL-NBP
    • (+/-)-3-BUTYLPHTHALIDE
    • MFCD01704513
    • N-butylphthalide
    • 3-Butyl-2-benzofuran-1(3H)-one
    • 3-n-Butylphthalide;3-Butylphthalide
    • (S)-3-Butyl-1(3H)-isobenzofuranone
    • 3-butyl-1,3-dihydro-2-benzofuran-1-one
    • 3-butyl phthalide
    • NBP
    • butilftalida
    • butylphthalidum
    • 3-butyl-3H-isobenzofuran-1-one
    • (+/-)-butylphthalide
    • Rac-3-n-butylphthalide
    • SCHEMBL716879
    • CHEMBL248594
    • BUTYLPHTHALIDE [WHO-DD]
    • 3-butyl-3H-2-benzouran-1-one
    • DTXSID50863687
    • CHEBI:177504
    • GLXC-02779
    • HMS3886B22
    • 3-N-BUTYLPHTHALIDE [FHFI]
    • BCP30933
    • HY-B0647
    • s9263
    • AKOS005362658
    • CCG-266504
    • CS-3609
    • DB12749
    • FB73833
    • 3-N-Butylphthalide, >=98% (HPLC)
    • AC-35096
    • AS-56990
    • DA-69983
    • SY231947
    • 3-Butylphthalide pound>>3-n-Butylphthalide
    • NS00012065
    • C17854
    • Q5003180
    • BRD-A59378440-001-01-3
    • 228-000-8
1 3

Botanical

Name CAS Botanical Proportion
Carrot seed (France) 1 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.05%
Celery seed 2 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.93%
Celery seed (Pakistan) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 6.0%
Celery seed (France) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.7%
Celery flower 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.9%
Celery seed 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.2%
Celery leaf 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 6.2%
Celery root 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.5%
Celery seed (China) 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.56%
Celery stem 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 11.9%
Lovage root (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.18%
Parsley absolute (Egypt) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.55%
Parsley herb (Egypt) 1 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.03%
Snakeroot, Canadian 8016-69-1 Asarum canadense L., fam. Aristolochiaceae 0.23%
Carrot seed (France) 4 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 5.88%
Celery plant 8015-90-5 Apium graveolens L. var. dulce, fam. Apiaceae (Umbelliferae) 2.5%
Celery seed (India) 3 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.56%
Lovage seed (France) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 0.02%
Carrot seed (France) 3 8015-88-1 Daucus carota L., fam. Apiaceae (Umbelliferae) 0.37%
Celery seed (India) 1 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.55%
Celery leaf/stem (Libya) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 22.3%
Parsley leaf (Germany), 1b (smooth leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.05%
Parsley leaf (Germany), 1a (curly leaf) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.02%
Celery seed (Egypt) 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.38%
Celery seed (India) 4 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 6.3%
Clover, white flower (Austria) Trifolium repens L., fam Liguminosae (Papilionaceae) 1.6%
Clover, red flower (Austria) 85085-25-2 Trifolium pratense L., fam. Leguminosae (Papilionaceae) 1.2%
Celery seed 3a 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 0.31%
Celery seed 3b 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 27.45%
Celery seed 3c 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 22.1%
Celery seed (China) 3a 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 2.68%
Celery seed (China) 3b 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 5.49%
Lovage root (Lithuania) 8016-31-7 Levisticum officinale Koch, fam. Apiaceae (Umbelliferae) 1.48%
Celery seed (India) 5 8015-90-5 Apium graveolens L., fam. Apiaceae (Umbelliferae) 1.6%
Cnidium officinale (Korea) Cnidium officinale Makino, fam. Apiaceae (Umbelliferae) 21.1%