3-Octyl acetate

  • Identifiers

    CAS mumber
    4864-61-3

    Molecular formula
    C10H20O2

    SMILES
    CCCCCC(CC)OC(=O)C

    Retention indicies (RI)

    • DB5: 1124.0
    • Carbowax: 1345.0

  • Properties

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

    Molecular weight
    172.26 g/mol

    Solubilities

    • soluble in alcohol, propylene glycol, fixed oils; slightly soluble in water

  • Synonyms

    • 3-Octyl acetate
    • 3-Octanol, acetate
    • 4864-61-3
    • octan-3-yl acetate
    • 3-Octanol acetate
    • Oct-3-yl ethanoate
    • 1-Ethyl hexyl acetate
    • Amyl ethyl carbinyl acetate
    • 3-Octanol, 3-acetate
    • FEMA No. 3583
    • 3-Octyl acetate (natural)
    • 3-OCTANYL ACETATE
    • UNII-8M41FR2J6W
    • (+/-)-3-Octyl acetate
    • EINECS 225-471-1
    • Octan-3-ol acetate
    • 8M41FR2J6W
    • 3-ACETOXYOCTANE
    • 3-OCTYL ACETATE [FCC]
    • 3-OCTYL ACETATE [FHFI]
    • Acetic acid, 1-ethylhexyl ester
    • DTXSID30863463
    • (+/-)-3-ACETOXYOCTANE
    • 3-OCTYL ACETATE, (+/-)-
    • ethyl acetate=n-hexane
    • (+)-3-octyl acetate
    • 1-Ethylhexyl acetate #
    • SCHEMBL112743
    • FEMA 3583
    • DTXCID80812082
    • CHEBI:179545
    • 3-Octyl acetate, >=98%, FCC, FG
    • NS00045125
    • 3-Octyl acetate, natural (US), >=97%, FG
    • Q27270741
    • 225-471-1
1 3

Botanical

Name CAS Botanical Proportion
Mentha aquatica (Greece) Mentha aquatica (L.), fam. Lamiaceae (Labiatae) 0.01%
Mentha gentilis var. lanata Mentha gentilis (L.) var. lanata (Rydb.) Fujita et Fujita, fam. Lamiaceae 0.25%
Mentha longifolia ssp. longifolia (Greece) 90063-99-3 Mentha longifolia (L.) ssp. longifolia, fam. Lamiaceae (Labiatae) 3.0%
Mentha longifolia ssp. petiolata (Greece) 1 90063-99-3 Mentha longifolia (L.) ssp. petiolata (Chemotype I), fam. Lamiaceae 0.45%
Mentha longifolia ssp. petiolata (Greece) 2 90063-99-3 Mentha longifolia (L.) ssp. petiolata (Chemotype II), fam. Lamiaceae 0.01%
Mentha rotundifolia (Greece) 1 Mentha x rotundifolia (L.) Hudson (Chemotype I), fam. Lamiaceae (Labiatae) 0.4%
Mentha spicata (Greece) Chemotype I Mentha spicata L. (Chemotype I), fam. Lamiaceae (Labiatae) 0.25%
Mentha spicata (Greece) Chemotype II Mentha spicata L. (Chemotype II), fam. Lamiaceae (Labiatae) 0.01%
Mentha spicata (Greece) Chemotype IIIa Mentha spicata L. (Chemotype IIIa), fam. Lamiaceae (Labiatae) 0.2%
Mentha spicata (Greece) Chemotype IIIb Mentha spicata L. (Chemotype IIIb), fam. Lamiaceae (Labiatae) 0.25%
Mentha spicata (Greece) Chemotype IV Mentha spicata L. (Chemotype IV), fam Lamiaceae (Labiatae) 0.2%
Mentha suaveolens (Chemotype 2) Mentha suaveolens Ehrh. (Chemotype 2), fam. Lamiaceae (Labiatae) 0.46%
Mentha suaveolens (Greece) Mentha suaveolens Ehrh., fam Lamiacae (Labiatae) 0.5%
Mentha x dumetorum (Greece) Mentha x dumetorum, fam Lamiaceae (Labiatae) 0.1%
Mentha x spicata (Greece) Mentha x spicata L., fam. Lamiaceae (Labiatae) 0.44%
Mentha x villosa (Belgium) Mentha x villosa H. nm. alopecuroides (M. x alopecuroides; M. x velutina) 0.1%
Mentha x villosa (Greece) 1 Mentha x villosa Hudson, fam. Lamiaceae (Labiatae) 0.21%
Mentha x villosa (Greece) 2 Mentha x villosa Hudson, fam. Lamiaceae (Labiatae) 0.38%
Mentha x villoso-nervata (Greece) 1 Mentha x villoso-nervata Opiz (M.longifolia L. x M.spicata L.) (Chemot.I) 0.3%
Mentha x villoso-nervata (Greece) 2 Mentha x villoso-nervata Opiz (M.longifolia L. x M.spicata L.) (Chemot.II) 0.01%
Mentha rotundifolia (Greece) 2 Mentha rotundifolia (L.) Hudson (Chemotype II), fam. Lamiaceae (Labiatae) 0.33%
Pennyroyal 1 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.5%
Pennyroyal (Austria) 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.8%
Pennyroyal 2 8013-99-8 Mentha pulegium L. (C.R. variety), fam. Lamiaceae (Labiatae) 0.12%
Pennyroyal 3 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.2%
Spearmint, scotch (USA) 1 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.3%
Lepechinia urbanii Lepechinia urbanii (Briq.) Epling, fam. Lamiaceae (Labiatae) 0.2%
Lavender (France) 6 8000-28-0 Lavandula angustifolia Mill., fam. Lamiaceae (Labiatae) 0.18%
Peppermint (Greece) 3 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.48%
Cornmint (Mentha arvensis) (India) 3 Shivalik 68917-18-0 Mentha arvensis (L.) var. piperascens Malinv., fam. Lamiaceae (Labiatae) 0.04%
Spearmint, scotch (USA) 3 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.18%
Spearmint, scotch (USA) 2 Mentha gracilis Sole, fam. Lamiaceae (Labiatae) 0.19%
Lavandin (France) (Abrialis) 2 8022-15-9 Lavandula x hybrida Rev. (L. x intermedia Emeric ex Loiseleur), Lamiaceae 0.01%
Satureja boliviana (Peru) 1 Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 0.05%
Peppermint (Mongolia) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.07%
Mentha citrata (Bergamot mint) 68917-15-7 Mentha citrata Ehrh., fam. Lamiaceae (Labiatae) 1.0%
Pennyroyal (USA) 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.05%
Pennyroyal (Germany) 1a 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.01%
Pennyroyal (Germany) 1b 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 3.1%
Pennyroyal (Germany) 1c 8013-99-8 Mentha pulegium L., fam. Lamiaceae (Labiatae) 0.01%
Satureja boliviana (Peru) 2 Satureja boliviana Briq. (Micromeria boliviana Benth.), fam. Lamiaceae 0.3%
Satureja brevicalix (Peru) Satureja brevicalix Epl., fam. Lamiaceae (Labiatae) 0.4%
Grapefruit (Italy) 4c 8016-20-4 Citrus paradisi MacFayden, fam. Rutaceae 0.07%
Olibanum, African (Oman) 8016-36-2 Boswellia frereana Birdwood, fam. Burseraceae 0.01%
Lemon (Italy-Sicily) 12b Lo Porto 84929-31-7 Citrus limon (L.) Burm. f., cultivar Lo Porto, fam. Rutaceae 0.01%
Aegopodium podagraria Aegodopodium podagraria L., fam. Apiaceae (Umbelliferae) 0.2%
Guava fruit (Cuba) 91770-12-6 Psidium guajava L., fam. Myrtaceae 2.0%
Orange, sweet (Italy) 6e Washington navel 8028-48-6 Citrus sinensis (L.) Osbeck, cultivar Washington navel, fam. Rutaceae 0.01%
Spearmint (Mexico) 8008-79-5 Mentha spicata L., fam. Lamiaceae (Labiatae) 0.3%
Peppermint (Mexico) 8006-90-4 Mentha piperita L., fam. Lamiaceae (Labiatae) 0.1%