3-(Benzyloxy)propanal

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  • Identifiers

    CAS number
    19790-60-4

    Molecular formula
    C10H12O2

    SMILES
    C1=CC=C(C=C1)COCCC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Green 70.32%
    Fruity 69.4%
    Sweet 55.76%
    Floral 51.87%
    Almond 44.78%
    Spicy 42.75%
    Fresh 41.74%
    Hyacinth 40.68%
    Herbal 40.06%
    Cherry 35.9%

    Scent© AI

  • Properties

    XLogP3-AA
    1.0

    Molecular weight
    164.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    259°C

    Flash point est.
    118.05 ˚C

  • Synonyms

    • 3-(Benzyloxy)propanal
    • 19790-60-4
    • 3-phenylmethoxypropanal
    • 3-(phenylmethoxy)propanal
    • 3-BENZYLOXY-PROPIONALDEHYDE
    • Propanal, 3-(phenylmethoxy)-
    • 3-benzyloxypropanal
    • MFCD00506599
    • DTXSID90447162
    • 3-Benzyloxypropionaldehyde
    • 3-Benzyloxy-1-propanal
    • 3-benzyloxy propanal
    • 3-(benzyloxy)propionaldehyde
    • 3-benzyloxy-1-propanaldehyde
    • SCHEMBL1428305
    • 3-Benzyloxypropionaldehyde, 96%
    • DTXCID60397983
    • ANSYAMHYCYOWAW-UHFFFAOYSA-N
    • UAA79060
    • AKOS012340690
    • CS-W010833
    • AS-19780
    • DA-08580
    • SY275149
    • EN300-98978
    • W18571
    • Z1080367286
    • 894-261-5

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 657.16
    methanol 952.4
    isopropanol 290.98
    water 2.16
    ethyl acetate 522.63
    n-propanol 353.36
    acetone 441.5
    n-butanol 271.66
    acetonitrile 616.32
    DMF 378.07
    toluene 127.51
    isobutanol 186.78
    1,4-dioxane 819.5
    methyl acetate 470.01
    THF 498.51
    2-butanone 364.59
    n-pentanol 229.44
    sec-butanol 199.7
    n-hexane 17.21
    ethylene glycol 255.19
    NMP 194.78
    cyclohexane 30.7
    DMSO 1139.46
    n-butyl acetate 249.73
    n-octanol 55.95
    chloroform 1141.11
    n-propyl acetate 296.68
    acetic acid 792.59
    dichloromethane 1199.28
    cyclohexanone 352.32
    propylene glycol 265.35
    isopropyl acetate 176.05
    DMAc 389.82
    2-ethoxyethanol 527.75
    isopentanol 196.2
    n-heptane 16.67
    ethyl formate 279.28
    1,2-dichloroethane 759.63
    n-hexanol 188.52
    2-methoxyethanol 770.51
    isobutyl acetate 159.71
    tetrachloromethane 86.39
    n-pentyl acetate 80.64
    transcutol 1541.76
    n-heptanol 55.92
    ethylbenzene 71.81
    MIBK 136.05
    2-propoxyethanol 373.54
    tert-butanol 303.42
    MTBE 187.94
    2-butoxyethanol 164.82
    propionic acid 397.21
    o-xylene 79.48
    formic acid 328.91
    diethyl ether 341.53
    m-xylene 76.17
    p-xylene 85.16
    chlorobenzene 216.49
    dimethyl carbonate 125.1
    n-octane 5.42
    formamide 425.57
    cyclopentanone 346.49
    2-pentanone 242.58
    anisole 213.83
    cyclopentyl methyl ether 205.8
    gamma-butyrolactone 475.87
    1-methoxy-2-propanol 404.66
    pyridine 569.43
    3-pentanone 191.67
    furfural 504.13
    n-dodecane 5.45
    diethylene glycol 390.79
    diisopropyl ether 54.31
    tert-amyl alcohol 192.95
    acetylacetone 291.76
    n-hexadecane 6.22
    acetophenone 188.83
    methyl propionate 303.14
    isopentyl acetate 187.91
    trichloroethylene 1212.51
    n-nonanol 52.24
    cyclohexanol 189.15
    benzyl alcohol 194.32
    2-ethylhexanol 106.97
    isooctanol 48.78
    dipropyl ether 163.97
    1,2-dichlorobenzene 182.85
    ethyl lactate 139.92
    propylene carbonate 282.2
    n-methylformamide 351.55
    2-pentanol 141.98
    n-pentane 12.42
    1-propoxy-2-propanol 242.22
    1-methoxy-2-propyl acetate 217.05
    2-(2-methoxypropoxy) propanol 197.91
    mesitylene 48.31
    ε-caprolactone 322.61
    p-cymene 47.76
    epichlorohydrin 687.13
    1,1,1-trichloroethane 433.34
    2-aminoethanol 363.7
    morpholine-4-carbaldehyde 444.38
    sulfolane 482.72
    2,2,4-trimethylpentane 10.8
    2-methyltetrahydrofuran 333.64
    n-hexyl acetate 114.87
    isooctane 8.4
    2-(2-butoxyethoxy)ethanol 283.19
    sec-butyl acetate 153.08
    tert-butyl acetate 157.47
    decalin 19.45
    glycerin 335.98
    diglyme 572.68
    acrylic acid 355.45
    isopropyl myristate 51.49
    n-butyric acid 441.61
    acetyl acetate 257.55
    di(2-ethylhexyl) phthalate 58.91
    ethyl propionate 219.41
    nitromethane 1075.76
    1,2-diethoxyethane 329.82
    benzonitrile 216.32
    trioctyl phosphate 36.51
    1-bromopropane 283.22
    gamma-valerolactone 476.49
    n-decanol 39.97
    triethyl phosphate 89.49
    4-methyl-2-pentanol 77.48
    propionitrile 367.06
    vinylene carbonate 296.2
    1,1,2-trichlorotrifluoroethane 551.93
    DMS 150.52
    cumene 52.71
    2-octanol 31.66
    2-hexanone 230.47
    octyl acetate 61.5
    limonene 68.17
    1,2-dimethoxyethane 696.55
    ethyl orthosilicate 85.49
    tributyl phosphate 56.82
    diacetone alcohol 202.09
    N,N-dimethylaniline 123.48
    acrylonitrile 481.86
    aniline 222.1
    1,3-propanediol 413.18
    bromobenzene 210.66
    dibromomethane 665.41
    1,1,2,2-tetrachloroethane 902.94
    2-methyl-cyclohexyl acetate 122.82
    tetrabutyl urea 75.99
    diisobutyl methanol 60.74
    2-phenylethanol 149.79
    styrene 110.47
    dioctyl adipate 96.77
    dimethyl sulfate 184.26
    ethyl butyrate 202.04
    methyl lactate 162.14
    butyl lactate 101.52
    diethyl carbonate 152.79
    propanediol butyl ether 157.67
    triethyl orthoformate 132.84
    p-tert-butyltoluene 43.61
    methyl 4-tert-butylbenzoate 123.4
    morpholine 799.31
    tert-butylamine 156.84
    n-dodecanol 32.61
    dimethoxymethane 338.61
    ethylene carbonate 240.37
    cyrene 160.9
    2-ethoxyethyl acetate 161.77
    2-ethylhexyl acetate 137.21
    1,2,4-trichlorobenzene 219.62
    4-methylpyridine 339.44
    dibutyl ether 102.05
    2,6-dimethyl-4-heptanol 60.74
    DEF 315.08
    dimethyl isosorbide 245.51
    tetrachloroethylene 559.11
    eugenol 138.83
    triacetin 176.53
    span 80 137.55
    1,4-butanediol 193.38
    1,1-dichloroethane 565.75
    2-methyl-1-pentanol 172.25
    methyl formate 267.3
    2-methyl-1-butanol 173.64
    n-decane 8.75
    butyronitrile 301.43
    3,7-dimethyl-1-octanol 71.1
    1-chlorooctane 42.65
    1-chlorotetradecane 18.01
    n-nonane 8.18
    undecane 6.6
    tert-butylcyclohexane 17.9
    cyclooctane 10.44
    cyclopentanol 164.65
    tetrahydropyran 495.11
    tert-amyl methyl ether 131.82
    2,5,8-trioxanonane 372.86
    1-hexene 100.83
    2-isopropoxyethanol 298.11
    2,2,2-trifluoroethanol 213.67
    methyl butyrate 307.86

    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