2-(Pentyloxy)benzaldehyde

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  • Identifiers

    CAS number
    7091-14-7

    Molecular formula
    C12H16O2

    SMILES
    CCCCCOC1=CC=CC=C1C=O

  • Odor profile

    Fragrance
    Sweet 79.17%
    Herbal 62.61%
    Floral 62.2%
    Green 56.38%
    Spicy 56.24%
    Anisic 49.14%
    Balsamic 46.27%
    Vanilla 40.47%
    Aromatic 35.33%
    Woody 33.51%

     

    Flavor
    Spicy 53.73%
    Balsam 52.7%
    Green 46.78%
    Sweet 45.77%
    Floral 44.67%
    Fresh 36.44%
    Woody 35.43%
    Herbal 34.1%
    Cinnamon 31.94%
    Chocolate 30.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    3.5

    pKa est.
    7.27 (neutral)

    Molecular weight
    192.25 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    281°C

    Flash point

    • 117.88 ˚C est.

  • Synonyms

    • 2-(pentyloxy)benzaldehyde
    • 7091-14-7
    • 2-pentoxybenzaldehyde
    • AKOS B014088
    • 2-Pentyloxy-benzaldehyde
    • NSC69104
    • MFCD00451949
    • Benzaldehyde, 2-(pentyloxy)-
    • SCHEMBL4947216
    • DTXSID60290521
    • ALBB-001194
    • BBL037553
    • NSC-69104
    • STK502425
    • AKOS000249487
    • VS-14257
    • CS-0313431
    • H21304

  • Applications

    2-(Pentyloxy)benzaldehyde (CAS 7091-14-7) is used as a fragrance ingredient and odorant in perfumery and cosmetics; it is often evaluated as a flavor/aroma intermediate, and serves as a chemical intermediate in industrial manufacturing for synthesizing other aromatic compounds; it can function as a building block in specialty polymers or coatings formulations; and it may act as a precursor in pharmaceutical or agrochemical syntheses under appropriate regulatory and formulation controls.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2960.26
    methanol 3698.0
    isopropanol 1540.47
    water 0.17
    ethyl acetate 4514.43
    n-propanol 1929.81
    acetone 5384.11
    n-butanol 2004.69
    acetonitrile 4533.54
    DMF 3696.05
    toluene 1165.9
    isobutanol 1242.84
    1,4-dioxane 3188.5
    methyl acetate 3016.61
    THF 3082.41
    2-butanone 3209.51
    n-pentanol 1000.86
    sec-butanol 1106.54
    n-hexane 162.48
    ethylene glycol 372.61
    NMP 1791.68
    cyclohexane 391.07
    DMSO 4860.28
    n-butyl acetate 2339.15
    n-octanol 269.88
    chloroform 6691.81
    n-propyl acetate 1941.39
    acetic acid 2504.69
    dichloromethane 8649.72
    cyclohexanone 3800.79
    propylene glycol 461.96
    isopropyl acetate 1917.58
    DMAc 1884.9
    2-ethoxyethanol 1457.83
    isopentanol 1456.8
    n-heptane 73.87
    ethyl formate 1842.17
    1,2-dichloroethane 7881.79
    n-hexanol 1165.49
    2-methoxyethanol 3009.02
    isobutyl acetate 918.32
    tetrachloromethane 623.36
    n-pentyl acetate 757.03
    transcutol 4570.96
    n-heptanol 277.39
    ethylbenzene 493.47
    MIBK 1213.1
    2-propoxyethanol 1752.44
    tert-butanol 1716.32
    MTBE 1877.37
    2-butoxyethanol 628.22
    propionic acid 1643.18
    o-xylene 424.5
    formic acid 582.4
    diethyl ether 3601.32
    m-xylene 538.49
    p-xylene 545.32
    chlorobenzene 2134.06
    dimethyl carbonate 870.36
    n-octane 32.02
    formamide 1246.17
    cyclopentanone 3145.2
    2-pentanone 2917.96
    anisole 1140.07
    cyclopentyl methyl ether 1665.3
    gamma-butyrolactone 3290.18
    1-methoxy-2-propanol 1776.31
    pyridine 3521.32
    3-pentanone 1744.96
    furfural 2553.71
    n-dodecane 26.49
    diethylene glycol 1232.54
    diisopropyl ether 565.6
    tert-amyl alcohol 1121.05
    acetylacetone 2750.18
    n-hexadecane 32.34
    acetophenone 994.06
    methyl propionate 2433.86
    isopentyl acetate 1550.21
    trichloroethylene 10181.55
    n-nonanol 237.52
    cyclohexanol 1367.94
    benzyl alcohol 846.47
    2-ethylhexanol 542.23
    isooctanol 228.32
    dipropyl ether 883.56
    1,2-dichlorobenzene 1557.5
    ethyl lactate 484.79
    propylene carbonate 1828.86
    n-methylformamide 2006.94
    2-pentanol 1053.05
    n-pentane 145.31
    1-propoxy-2-propanol 1114.48
    1-methoxy-2-propyl acetate 1398.98
    2-(2-methoxypropoxy) propanol 604.72
    mesitylene 316.84
    ε-caprolactone 2655.65
    p-cymene 215.78
    epichlorohydrin 4909.07
    1,1,1-trichloroethane 4278.69
    2-aminoethanol 843.79
    morpholine-4-carbaldehyde 1996.52
    sulfolane 3172.85
    2,2,4-trimethylpentane 63.41
    2-methyltetrahydrofuran 2327.98
    n-hexyl acetate 919.26
    isooctane 60.36
    2-(2-butoxyethoxy)ethanol 920.83
    sec-butyl acetate 996.76
    tert-butyl acetate 1465.42
    decalin 131.64
    glycerin 575.46
    diglyme 2066.76
    acrylic acid 1332.19
    isopropyl myristate 314.79
    n-butyric acid 3023.28
    acetyl acetate 2029.39
    di(2-ethylhexyl) phthalate 242.98
    ethyl propionate 1486.48
    nitromethane 5191.74
    1,2-diethoxyethane 1993.03
    benzonitrile 1374.43
    trioctyl phosphate 173.97
    1-bromopropane 3270.44
    gamma-valerolactone 3339.54
    n-decanol 173.75
    triethyl phosphate 339.84
    4-methyl-2-pentanol 451.68
    propionitrile 2468.6
    vinylene carbonate 1669.12
    1,1,2-trichlorotrifluoroethane 2408.88
    DMS 960.55
    cumene 256.71
    2-octanol 184.14
    2-hexanone 1686.16
    octyl acetate 380.04
    limonene 364.48
    1,2-dimethoxyethane 2868.85
    ethyl orthosilicate 329.12
    tributyl phosphate 280.86
    diacetone alcohol 1210.68
    N,N-dimethylaniline 508.41
    acrylonitrile 3070.2
    aniline 1451.92
    1,3-propanediol 1388.07
    bromobenzene 2374.82
    dibromomethane 5475.56
    1,1,2,2-tetrachloroethane 7166.54
    2-methyl-cyclohexyl acetate 577.58
    tetrabutyl urea 344.4
    diisobutyl methanol 278.69
    2-phenylethanol 811.25
    styrene 873.34
    dioctyl adipate 438.97
    dimethyl sulfate 1016.37
    ethyl butyrate 1133.22
    methyl lactate 709.35
    butyl lactate 501.48
    diethyl carbonate 714.34
    propanediol butyl ether 520.4
    triethyl orthoformate 573.37
    p-tert-butyltoluene 200.09
    methyl 4-tert-butylbenzoate 452.45
    morpholine 3835.17
    tert-butylamine 1054.3
    n-dodecanol 134.14
    dimethoxymethane 2533.52
    ethylene carbonate 1539.67
    cyrene 463.63
    2-ethoxyethyl acetate 1151.6
    2-ethylhexyl acetate 1059.98
    1,2,4-trichlorobenzene 1655.29
    4-methylpyridine 3214.71
    dibutyl ether 660.4
    2,6-dimethyl-4-heptanol 278.69
    DEF 2768.41
    dimethyl isosorbide 959.99
    tetrachloroethylene 3834.87
    eugenol 508.89
    triacetin 707.06
    span 80 461.36
    1,4-butanediol 431.37
    1,1-dichloroethane 6092.89
    2-methyl-1-pentanol 812.51
    methyl formate 1494.37
    2-methyl-1-butanol 1216.71
    n-decane 45.18
    butyronitrile 2686.85
    3,7-dimethyl-1-octanol 347.33
    1-chlorooctane 282.18
    1-chlorotetradecane 103.06
    n-nonane 44.44
    undecane 33.12
    tert-butylcyclohexane 104.92
    cyclooctane 88.4
    cyclopentanol 1032.91
    tetrahydropyran 3756.64
    tert-amyl methyl ether 965.53
    2,5,8-trioxanonane 1160.35
    1-hexene 893.11
    2-isopropoxyethanol 875.17
    2,2,2-trifluoroethanol 591.66
    methyl butyrate 2233.91

    Scent© AI

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