Aurantiol

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  • Identifiers

    CAS number
    89-43-0

    Molecular formula
    C18H27NO3

    SMILES
    CC(CCCC(C)(C)O)CC=NC1=CC=CC=C1C(=O)OC

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Floral 85.65%
    Sweet 68.45%
    Fresh 63.55%
    Lily 58.37%
    Muguet 42.78%
    Citrus 42.73%
    Neroli 42.64%
    Rose 39.61%
    Powdery 30.48%
    Woody 30.26%

    Scent© AI

  • Properties

    XLogP3-AA
    3.3

    Molecular weight
    305.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    431°C

    Flash point est.
    177.61 ˚C

  • Synonyms

    • Aurantiol
    • 89-43-0
    • Aurantium
    • Aurantion
    • Aurantiol, (+/-)-
    • methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
    • Hydroxycitronellylidene methyl anthranilate
    • Hydroxycitronellal methyl anthranilate
    • NSC-78483
    • Benzoic acid, 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]-, methyl ester
    • UNII-495739WRQE
    • Methyl N-3,7-dimethyl-7-hydroxyoctylideneanthranilate
    • 495739WRQE
    • NSC 78483
    • 663958-46-1
    • AI3-24182
    • AI3-36110
    • Methyl 2-((7-hydroxy-3,7-dimethyloctylidene)amino)benzoate
    • Benzoic acid, 2-((7-hydroxy-3,7-dimethyloctylidene)amino)-, methyl ester
    • EINECS 201-908-1
    • Benzoic acid, 2-((E)-(7-hydroxy-3,7-dimethyloctylidene)amino)-, methyl ester
    • Hydroxycitronellal / methyl anthranilate (Schiff Base)
    • Anthranilic acid, N-(7-hydroxy-3,7-dimethyloctylidene)-, methyl ester
    • SCHEMBL1171575
    • DTXSID0044579
    • DTXSID60859152
    • BFBPISPWJZMWJN-UHFFFAOYSA-N
    • NSC78483
    • AKOS015902675
    • AKOS024332412
    • NS00012634
    • NS00100367
    • Anthranilic acid,7-dimethyloctylidene)-, methyl ester
    • Q27259226
    • Benzoic acid,7-dimethyloctylidene)amino]-, methyl ester
    • methyl n-(3,7-dimethyl-7-hydroxyoctylidene)-anthranilate
    • Methyl 2-((E)-(7-hydroxy-3,7-dimethyloctylidene)amino)benzoate
    • methyl 2-{[(E)-7-hydroxy-3,7-dimethyloctylidene]amino}benzoate
    • N-(7-Hydroxy-3,7-dimethyloctylidene)anthranilic acid methyl ester
    • 201-908-1
    • Auralva

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 915.87
    methanol 907.55
    isopropanol 488.97
    water 0.1
    ethyl acetate 466.78
    n-propanol 511.05
    acetone 583.61
    n-butanol 435.34
    acetonitrile 183.18
    DMF 529.41
    toluene 192.71
    isobutanol 303.38
    1,4-dioxane 688.89
    methyl acetate 330.37
    THF 1344.46
    2-butanone 411.19
    n-pentanol 290.19
    sec-butanol 345.94
    n-hexane 5.44
    ethylene glycol 54.73
    NMP 344.73
    cyclohexane 16.32
    DMSO 776.68
    n-butyl acetate 216.87
    n-octanol 89.35
    chloroform 907.09
    n-propyl acetate 208.38
    acetic acid 388.86
    dichloromethane 737.95
    cyclohexanone 481.67
    propylene glycol 232.84
    isopropyl acetate 250.54
    DMAc 569.81
    2-ethoxyethanol 453.72
    isopentanol 331.77
    n-heptane 3.59
    ethyl formate 218.34
    1,2-dichloroethane 456.87
    n-hexanol 231.67
    2-methoxyethanol 873.03
    isobutyl acetate 158.03
    tetrachloromethane 51.1
    n-pentyl acetate 123.61
    transcutol 1514.7
    n-heptanol 90.57
    ethylbenzene 73.98
    MIBK 213.38
    2-propoxyethanol 462.74
    tert-butanol 448.48
    MTBE 287.52
    2-butoxyethanol 228.76
    propionic acid 225.67
    o-xylene 83.66
    formic acid 117.94
    diethyl ether 260.62
    m-xylene 112.31
    p-xylene 95.61
    chlorobenzene 217.4
    dimethyl carbonate 116.79
    n-octane 2.42
    formamide 170.37
    cyclopentanone 564.96
    2-pentanone 349.45
    anisole 197.16
    cyclopentyl methyl ether 344.93
    gamma-butyrolactone 514.0
    1-methoxy-2-propanol 681.5
    pyridine 398.85
    3-pentanone 184.83
    furfural 395.99
    n-dodecane 3.14
    diethylene glycol 324.41
    diisopropyl ether 52.0
    tert-amyl alcohol 319.39
    acetylacetone 374.4
    n-hexadecane 3.7
    acetophenone 178.11
    methyl propionate 287.62
    isopentyl acetate 209.31
    trichloroethylene 831.17
    n-nonanol 82.08
    cyclohexanol 310.27
    benzyl alcohol 211.72
    2-ethylhexanol 103.54
    isooctanol 71.69
    dipropyl ether 89.56
    1,2-dichlorobenzene 161.64
    ethyl lactate 133.25
    propylene carbonate 294.9
    n-methylformamide 229.78
    2-pentanol 229.28
    n-pentane 5.33
    1-propoxy-2-propanol 298.78
    1-methoxy-2-propyl acetate 286.64
    2-(2-methoxypropoxy) propanol 239.74
    mesitylene 57.97
    ε-caprolactone 387.34
    p-cymene 41.93
    epichlorohydrin 860.95
    1,1,1-trichloroethane 312.1
    2-aminoethanol 230.07
    morpholine-4-carbaldehyde 507.16
    sulfolane 545.44
    2,2,4-trimethylpentane 7.23
    2-methyltetrahydrofuran 629.04
    n-hexyl acetate 181.81
    isooctane 5.57
    2-(2-butoxyethoxy)ethanol 384.01
    sec-butyl acetate 152.38
    tert-butyl acetate 245.9
    decalin 10.47
    glycerin 235.7
    diglyme 622.79
    acrylic acid 154.15
    isopropyl myristate 67.2
    n-butyric acid 409.76
    acetyl acetate 220.57
    di(2-ethylhexyl) phthalate 90.08
    ethyl propionate 164.04
    nitromethane 471.96
    1,2-diethoxyethane 300.72
    benzonitrile 186.79
    trioctyl phosphate 57.22
    1-bromopropane 208.35
    gamma-valerolactone 735.24
    n-decanol 59.06
    triethyl phosphate 71.89
    4-methyl-2-pentanol 120.4
    propionitrile 178.3
    vinylene carbonate 242.15
    1,1,2-trichlorotrifluoroethane 499.64
    DMS 155.59
    cumene 47.88
    2-octanol 55.9
    2-hexanone 205.48
    octyl acetate 92.81
    limonene 60.47
    1,2-dimethoxyethane 539.88
    ethyl orthosilicate 72.02
    tributyl phosphate 70.62
    diacetone alcohol 346.83
    N,N-dimethylaniline 115.31
    acrylonitrile 188.75
    aniline 265.72
    1,3-propanediol 394.24
    bromobenzene 208.05
    dibromomethane 420.27
    1,1,2,2-tetrachloroethane 712.68
    2-methyl-cyclohexyl acetate 138.3
    tetrabutyl urea 86.35
    diisobutyl methanol 52.39
    2-phenylethanol 202.41
    styrene 97.73
    dioctyl adipate 114.76
    dimethyl sulfate 156.7
    ethyl butyrate 140.75
    methyl lactate 189.58
    butyl lactate 137.66
    diethyl carbonate 97.09
    propanediol butyl ether 271.87
    triethyl orthoformate 109.72
    p-tert-butyltoluene 43.15
    methyl 4-tert-butylbenzoate 159.29
    morpholine 972.49
    tert-butylamine 169.73
    n-dodecanol 42.89
    dimethoxymethane 522.47
    ethylene carbonate 217.5
    cyrene 196.56
    2-ethoxyethyl acetate 220.36
    2-ethylhexyl acetate 150.63
    1,2,4-trichlorobenzene 205.26
    4-methylpyridine 417.53
    dibutyl ether 85.89
    2,6-dimethyl-4-heptanol 52.39
    DEF 280.6
    dimethyl isosorbide 351.46
    tetrachloroethylene 345.92
    eugenol 169.08
    triacetin 205.45
    span 80 211.08
    1,4-butanediol 136.82
    1,1-dichloroethane 428.79
    2-methyl-1-pentanol 233.05
    methyl formate 184.11
    2-methyl-1-butanol 285.74
    n-decane 5.13
    butyronitrile 232.99
    3,7-dimethyl-1-octanol 92.72
    1-chlorooctane 42.17
    1-chlorotetradecane 15.65
    n-nonane 4.21
    undecane 3.92
    tert-butylcyclohexane 9.83
    cyclooctane 4.38
    cyclopentanol 295.23
    tetrahydropyran 650.16
    tert-amyl methyl ether 183.15
    2,5,8-trioxanonane 395.28
    1-hexene 46.43
    2-isopropoxyethanol 290.05
    2,2,2-trifluoroethanol 77.43
    methyl butyrate 221.84

    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