Abietal

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    6704-50-3

    Molecular formula
    C20H30O

    SMILES
    CC(C)C1=CC2=CC[C@H]3[C@](CCC[C@@]3([C@H]2CC1)C)(C)C=O

    Retention indicies (RI)

    • DB5: 2302.0

  • Odor profile

    Woody 71.97%
    Green 49.64%
    Spicy 47.15%
    Herbal 45.12%
    Fresh 40.5%
    Dry 37.32%
    Citrus 35.31%
    Fatty 34.33%
    Oily 34.12%
    Amber 33.99%

    Scent© AI

  • Properties

    XLogP3-AA
    4.7

    Molecular weight
    286.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    392°C

    Melting point expt.

    • 45 - 48 °C

    Flash point est.
    188.86 ˚C

  • Synonyms

    • Abietal
    • Abietinal
    • Abietaldehyde
    • abietadienal
    • abieta-7,13-dien-18-al
    • 6704-50-3
    • abieta-7,13-diene-18-al
    • CHEBI:29509
    • (1R,4aR,4bR,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbaldehyde
    • Abietadien-18-al
    • 7,13-Abietadien-18-al
    • CHEMBL563793
    • SCHEMBL2727840
    • DTXSID10332107
    • HOFSYSONRIGEAC-LWYYNNOASA-N
    • (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbaldehyde
    • Q27104073

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 66.48
    methanol 37.79
    isopropanol 60.15
    water 0.08
    ethyl acetate 164.51
    n-propanol 85.96
    acetone 134.55
    n-butanol 106.97
    acetonitrile 40.78
    DMF 165.53
    toluene 502.79
    isobutanol 64.56
    1,4-dioxane 312.53
    methyl acetate 87.78
    THF 428.53
    2-butanone 138.68
    n-pentanol 34.5
    sec-butanol 32.74
    n-hexane 7.66
    ethylene glycol 3.81
    NMP 112.95
    cyclohexane 39.05
    DMSO 35.74
    n-butyl acetate 153.0
    n-octanol 20.75
    chloroform 472.32
    n-propyl acetate 82.62
    acetic acid 38.73
    dichloromethane 326.06
    cyclohexanone 294.91
    propylene glycol 6.61
    isopropyl acetate 165.31
    DMAc 146.49
    2-ethoxyethanol 53.65
    isopentanol 99.54
    n-heptane 7.52
    ethyl formate 50.52
    1,2-dichloroethane 250.75
    n-hexanol 83.19
    2-methoxyethanol 106.71
    isobutyl acetate 83.99
    tetrachloromethane 65.05
    n-pentyl acetate 95.44
    transcutol 413.15
    n-heptanol 40.5
    ethylbenzene 102.59
    MIBK 145.99
    2-propoxyethanol 165.67
    tert-butanol 66.73
    MTBE 102.38
    2-butoxyethanol 94.85
    propionic acid 36.28
    o-xylene 171.81
    formic acid 9.33
    diethyl ether 187.05
    m-xylene 258.08
    p-xylene 116.06
    chlorobenzene 243.7
    dimethyl carbonate 64.46
    n-octane 2.63
    formamide 17.32
    cyclopentanone 250.87
    2-pentanone 180.09
    anisole 163.82
    cyclopentyl methyl ether 215.66
    gamma-butyrolactone 174.09
    1-methoxy-2-propanol 108.52
    pyridine 333.13
    3-pentanone 142.53
    furfural 174.6
    n-dodecane 1.88
    diethylene glycol 62.73
    diisopropyl ether 63.83
    tert-amyl alcohol 34.65
    acetylacetone 188.5
    n-hexadecane 2.4
    acetophenone 130.57
    methyl propionate 122.48
    isopentyl acetate 170.37
    trichloroethylene 458.73
    n-nonanol 24.4
    cyclohexanol 96.77
    benzyl alcohol 88.91
    2-ethylhexanol 52.44
    isooctanol 39.58
    dipropyl ether 82.94
    1,2-dichlorobenzene 204.27
    ethyl lactate 35.33
    propylene carbonate 111.79
    n-methylformamide 46.13
    2-pentanol 53.44
    n-pentane 14.25
    1-propoxy-2-propanol 121.1
    1-methoxy-2-propyl acetate 217.02
    2-(2-methoxypropoxy) propanol 87.98
    mesitylene 127.82
    ε-caprolactone 203.96
    p-cymene 62.11
    epichlorohydrin 279.86
    1,1,1-trichloroethane 219.51
    2-aminoethanol 15.96
    morpholine-4-carbaldehyde 205.69
    sulfolane 126.37
    2,2,4-trimethylpentane 6.58
    2-methyltetrahydrofuran 193.49
    n-hexyl acetate 96.91
    isooctane 8.34
    2-(2-butoxyethoxy)ethanol 125.73
    sec-butyl acetate 87.21
    tert-butyl acetate 166.66
    decalin 14.42
    glycerin 13.94
    diglyme 259.89
    acrylic acid 30.28
    isopropyl myristate 43.17
    n-butyric acid 106.22
    acetyl acetate 111.01
    di(2-ethylhexyl) phthalate 49.59
    ethyl propionate 89.56
    nitromethane 63.13
    1,2-diethoxyethane 162.7
    benzonitrile 126.56
    trioctyl phosphate 30.05
    1-bromopropane 167.36
    gamma-valerolactone 344.45
    n-decanol 17.38
    triethyl phosphate 54.22
    4-methyl-2-pentanol 51.62
    propionitrile 88.68
    vinylene carbonate 119.8
    1,1,2-trichlorotrifluoroethane 116.47
    DMS 113.55
    cumene 62.49
    2-octanol 21.02
    2-hexanone 76.67
    octyl acetate 46.22
    limonene 65.75
    1,2-dimethoxyethane 158.41
    ethyl orthosilicate 57.68
    tributyl phosphate 36.77
    diacetone alcohol 116.24
    N,N-dimethylaniline 102.24
    acrylonitrile 84.99
    aniline 230.62
    1,3-propanediol 49.88
    bromobenzene 287.35
    dibromomethane 237.36
    1,1,2,2-tetrachloroethane 323.24
    2-methyl-cyclohexyl acetate 91.37
    tetrabutyl urea 47.12
    diisobutyl methanol 41.22
    2-phenylethanol 138.09
    styrene 125.33
    dioctyl adipate 63.85
    dimethyl sulfate 64.13
    ethyl butyrate 105.33
    methyl lactate 41.01
    butyl lactate 68.13
    diethyl carbonate 67.77
    propanediol butyl ether 53.04
    triethyl orthoformate 88.11
    p-tert-butyltoluene 62.45
    methyl 4-tert-butylbenzoate 120.29
    morpholine 303.81
    tert-butylamine 52.02
    n-dodecanol 12.87
    dimethoxymethane 210.71
    ethylene carbonate 109.02
    cyrene 78.35
    2-ethoxyethyl acetate 168.64
    2-ethylhexyl acetate 131.15
    1,2,4-trichlorobenzene 225.27
    4-methylpyridine 351.76
    dibutyl ether 40.32
    2,6-dimethyl-4-heptanol 41.22
    DEF 151.89
    dimethyl isosorbide 182.88
    tetrachloroethylene 209.71
    eugenol 105.61
    triacetin 110.78
    span 80 67.29
    1,4-butanediol 11.13
    1,1-dichloroethane 219.35
    2-methyl-1-pentanol 42.5
    methyl formate 32.92
    2-methyl-1-butanol 70.43
    n-decane 3.7
    butyronitrile 100.29
    3,7-dimethyl-1-octanol 35.53
    1-chlorooctane 21.44
    1-chlorotetradecane 8.05
    n-nonane 3.1
    undecane 2.52
    tert-butylcyclohexane 11.45
    cyclooctane 13.19
    cyclopentanol 56.64
    tetrahydropyran 340.27
    tert-amyl methyl ether 63.45
    2,5,8-trioxanonane 148.98
    1-hexene 30.47
    2-isopropoxyethanol 50.55
    2,2,2-trifluoroethanol 17.73
    methyl butyrate 98.21

    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

Botanical

Name CAS Botanical Proportion
Cedarleaf (U.S.A.) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.05%
Juniperus rigida (Japan) 2 Juniperus rigida Mig., fam. Cupressaceae 0.05%
Baga fruit Annona glabra L., fam. Annonaceae 0.4%