Butyl hexanoate

  • Identifiers

    CAS number
    626-82-4

    Molecular formula
    C10H20O2

    SMILES
    CCCCCC(=O)OCCCC

    Retention indicies (RI)

    • DB5: 1189.0
    • Carbowax: 1402.0

  • Odor profile

    fruity 97.31%
    green 83.85%
    apple 69.64%
    sweet 68.17%
    pineapple 66.53%
    banana 58.66%
    winey 58.38%
    tropical 54.77%
    waxy 53.95%
    ripe 48.51%

    Scent© AI

  • Properties

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

    Molecular weight
    172.26 g/mol

    Melting points

    • -68.4 °C

    Boiling points

    • 208.00 °C. @ 760.00 mm Hg

  • Synonyms

    • Butyl hexanoate
    • 626-82-4
    • Butyl caproate
    • Hexanoic acid, butyl ester
    • N-BUTYL HEXANOATE
    • Hexanoic Acid Butyl Ester
    • n-Butyl caproate
    • n-Caproic acid n-butyl ester
    • n-Butyl n-hexanoate
    • FEMA No. 2201
    • Butyl ester of hexanoic acid
    • EBK588Q27T
    • NSC-4022
    • n-Caproic acid-n-butyl ester
    • BUTYL HEXANOATE [FHFI]
    • DTXSID8060824
    • CHEBI:89561
    • FEMA 2201
    • WE(4:0/6:0)
    • BUTYL HEXANOATE [USP-RS]
    • BUTYL HEXANOATE (USP-RS)
    • Butyl hexanoic acid
    • MFCD00053804
    • SCHEMBL48779
    • Butyl caproate, NSC 4022
    • Butyl hexanoate, >=98%, FG
    • DTXCID0043422
    • NSC4022
    • Butyl hexanoate, analytical standard
    • LMFA07010436
    • AKOS015904473
    • CS-W010768
    • LS-13891
    • H0107
    • NS00012042
    • Q3135039
    • Butyl caproate; Butyl hexanoate; NSC 4022; n-Butyl hexanoate
    • Butyl hexanoate, United States Pharmacopeia (USP) Reference Standard
    • 210-964-6
1 4

Botanical

Name CAS Botanical Proportion
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Astrocarium vulgare fruit Astrocarium vulgare Mart., fam. Arecaceae 2.6%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.07%
Osage orange fruit, 1a headspace Maclura pomifera (Raf.) Schneid, fam. Moraceae 8.0%