Butylphthalide

  • Identifiers

    CAS number
    6066-49-5

    Molecular formula
    C12H14O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2557.5

  • Odor profile

    herbal 73.68%
    spicy 47.16%
    celery 44.92%
    sweet 44.59%
    green 42.0%
    phenolic 36.66%
    balsamic 36.61%
    coconut 36.5%
    coumarinic 35.64%
    lactonic 35.31%

    Scent© AI

  • Properties

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

    Molecular weight
    190.24 g/mol

    Vapor pressure est.

    • 0.0001 hPa @ 20°C
    • 0.0003 hPa @ 25°C

    Evaporation rate
    Ultra slow

    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
NaN -Infinity

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%