2-Isooctanone

  • Identifiers

    CAS number
    928-68-7

    Molecular formula
    C8H16O

    SMILES
    CC(C)CCCC(=O)C
    O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 1221.0

  • Odor profile

    herbal 77.84%
    fruity 73.68%
    ketonic 68.96%
    sweet 58.48%
    mint 52.2%
    spicy 51.89%
    cheesy 49.43%
    woody 47.14%
    fresh 41.66%
    green 41.6%

    Scent© AI

  • Properties

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

    Molecular weight
    128.21 g/mol

    Vapor pressure est.

    • 1.84 hPa @ 20°C
    • 2.5985 hPa @ 25°C

    Evaporation rate
    Very fast

    Boiling point est.
    167°C

  • Synonyms

    • 6-Methylheptan-2-one
    • 6-METHYL-2-HEPTANONE
    • 928-68-7
    • 2-Heptanone, 6-methyl-
    • 2-Isooctanone
    • 2-Methyl-6-heptanone
    • Methyl isohexyl ketone
    • 6-methyl-heptan-2-one
    • N203Q7UI56
    • ISOOCTAN-2-ONE
NaN -Infinity

Botanical

Name CAS Botanical Proportion
Basil (Nigeria) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.01%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.03%
Lemongrass (Nigeria) 8007-02-1 Cymbopogon citratus (DC) Stapf (C. flexuosus), fam. Poaceae (Gramineae) 2.0%
Jasmine sambac (China) headspace Jasminum sambac (L.) Aiton, fam. Oleaceae 0.18%
Nicotiana rustica flower Nicotiana rustica L, subgenus Rustica, var. brasilia, fam. Solanaceae 1.8%
Cassie absolute 1b headspace 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%