1,1-Diethoxyoctane

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  • Identifiers

    CAS number
    54889-48-4

    Molecular formula
    C12H26O2

    SMILES
    CCCCCCCC(OCC)OCC

    Safety labels

    Flammable
    Flammable

  • Odor profile

    green 88.19%
    citrus 73.33%
    floral 67.72%
    fruity 65.92%
    fresh 61.22%
    herbal 57.91%
    waxy 56.81%
    fatty 56.38%
    oily 52.11%
    orange 47.88%

    Scent© AI

  • Properties

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

    Molecular weight
    202.33 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point est.
    221°C

  • Synonyms

    • 1,1-Diethoxyoctane
    • 54889-48-4
    • Octanal diethyl acetal
    • Octane, 1,1-diethoxy-
    • n-Octanal diethyl acetal
    • T6T180YN5R
    • EINECS 259-385-0
    • NSC 408319
    • NSC-408319
    • UNII-T6T180YN5R
    • AI3-05099
    • OCTANAL, DIETHYL ACETAL
    • DTXSID2068979
    • 1,1-diethoxy-octane
    • n-OctanalDiethylAcetal
    • MFCD00672807
    • NSC408319
    • Octane,1-diethoxy-
    • SCHEMBL3506995
    • DTXCID5041801
    • n-Octyl Aldehyde Diethyl Acetal
    • AKOS030228002
    • DB-255863
    • CS-0453530
    • NS00022359
    • O0427
    • D91870
    • Q63392184
    • 259-385-0
1 4

IFRA Standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction