Citronellal methylanthranilate

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  • Identifiers

    CAS number
    67845-42-5

    Molecular formula
    C18H25NO2

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

  • Odor profile

    Fresh 70.08%
    Floral 67.69%
    Citrus 63.78%
    Sweet 55.97%
    Green 47.62%
    Aldehydic 44.04%
    Lily 43.87%
    Neroli 41.14%
    Rose 40.36%
    Waxy 39.06%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    287.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    375°C

    Flash point est.
    171.13 ˚C

  • Synonyms

    • Citronellal methylanthranilate
    • 67845-42-5
    • CITRONAMA
    • 686JW1W8W0
    • EINECS 267-312-9
    • methyl 2-(3,7-dimethyloct-6-enylideneamino)benzoate
    • Methyl 2-((3,7-dimethyl-6-octenylidene)amino)benzoate
    • Citronellal methylanthranilate (Schiff Base)
    • DTXSID60867358
    • Benzoic acid, 2-((3,7-dimethyl-6-octen-1-ylidene)amino)-, methyl ester
    • Anthranilic acid, N-citronellylidene-, methyl ester
    • 2-Amino-N-(3,7-dimethyl-6-octenylidene)benzoic acid, methyl ester
    • Benzoic acid, 2-(3,7-dimethyl-6-octenylideneamino)-, methyl ester
    • Benzoic acid, 2-((3,7-dimethyl-6-octenylidene)amino)-, methyl ester
    • Benzoic acid, 2-[(3,7-dimethyl-6-octenylidene)amino]-, methyl ester
    • Methyl 2-[(3,7-dimethyl-6-octenylidene)amino]benzoate
    • Benzoic acid, 2-[(3,7-dimethyl-6-octen-1-ylidene)amino]-, methyl ester
    • UNII-686JW1W8W0
    • SCHEMBL2502431
    • SCHEMBL18230848
    • DTXCID00815550
    • FOIQCUQRLOGHEZ-UHFFFAOYSA-N
    • NS00012884
    • Q27264219
    • methyl (E)-2-((3,7-dimethyloct-6-en-1-ylidene)amino)benzoate
    • Benzoic acid, 2-(3,7-dimethyl-6-octenylidene)amino-, methyl ester

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 880.98
    methanol 562.68
    isopropanol 636.47
    water 0.03
    ethyl acetate 1191.06
    n-propanol 750.08
    acetone 1078.45
    n-butanol 689.4
    acetonitrile 485.01
    DMF 934.75
    toluene 920.54
    isobutanol 524.77
    1,4-dioxane 1239.93
    methyl acetate 759.79
    THF 1910.94
    2-butanone 1121.87
    n-pentanol 453.1
    sec-butanol 704.81
    n-hexane 28.39
    ethylene glycol 36.65
    NMP 682.89
    cyclohexane 93.25
    DMSO 821.59
    n-butyl acetate 423.22
    n-octanol 101.83
    chloroform 2731.5
    n-propyl acetate 432.91
    acetic acid 387.06
    dichloromethane 2630.7
    cyclohexanone 1250.18
    propylene glycol 177.89
    isopropyl acetate 515.83
    DMAc 919.66
    2-ethoxyethanol 532.35
    isopentanol 554.3
    n-heptane 11.39
    ethyl formate 372.97
    1,2-dichloroethane 1704.6
    n-hexanol 374.12
    2-methoxyethanol 935.57
    isobutyl acetate 258.18
    tetrachloromethane 186.31
    n-pentyl acetate 220.41
    transcutol 1677.0
    n-heptanol 124.47
    ethylbenzene 231.89
    MIBK 386.57
    2-propoxyethanol 564.25
    tert-butanol 569.42
    MTBE 637.01
    2-butoxyethanol 281.65
    propionic acid 330.74
    o-xylene 279.06
    formic acid 70.97
    diethyl ether 926.39
    m-xylene 370.23
    p-xylene 261.65
    chlorobenzene 745.33
    dimethyl carbonate 211.44
    n-octane 6.09
    formamide 157.1
    cyclopentanone 1276.67
    2-pentanone 924.56
    anisole 444.73
    cyclopentyl methyl ether 816.39
    gamma-butyrolactone 948.28
    1-methoxy-2-propanol 720.2
    pyridine 1317.41
    3-pentanone 597.44
    furfural 760.23
    n-dodecane 5.63
    diethylene glycol 290.32
    diisopropyl ether 143.83
    tert-amyl alcohol 557.7
    acetylacetone 714.97
    n-hexadecane 6.92
    acetophenone 375.49
    methyl propionate 747.73
    isopentyl acetate 376.95
    trichloroethylene 3047.21
    n-nonanol 98.25
    cyclohexanol 694.4
    benzyl alcohol 408.53
    2-ethylhexanol 169.3
    isooctanol 107.42
    dipropyl ether 183.11
    1,2-dichlorobenzene 484.19
    ethyl lactate 180.49
    propylene carbonate 515.36
    n-methylformamide 350.7
    2-pentanol 462.37
    n-pentane 30.21
    1-propoxy-2-propanol 385.49
    1-methoxy-2-propyl acetate 435.25
    2-(2-methoxypropoxy) propanol 261.02
    mesitylene 152.92
    ε-caprolactone 859.96
    p-cymene 86.78
    epichlorohydrin 2092.12
    1,1,1-trichloroethane 1170.86
    2-aminoethanol 182.63
    morpholine-4-carbaldehyde 767.37
    sulfolane 934.91
    2,2,4-trimethylpentane 23.32
    2-methyltetrahydrofuran 1478.94
    n-hexyl acetate 288.76
    isooctane 15.57
    2-(2-butoxyethoxy)ethanol 424.64
    sec-butyl acetate 301.22
    tert-butyl acetate 419.08
    decalin 36.28
    glycerin 161.55
    diglyme 773.14
    acrylic acid 223.81
    isopropyl myristate 96.65
    n-butyric acid 637.97
    acetyl acetate 422.95
    di(2-ethylhexyl) phthalate 113.7
    ethyl propionate 371.99
    nitromethane 704.99
    1,2-diethoxyethane 503.03
    benzonitrile 438.83
    trioctyl phosphate 70.76
    1-bromopropane 966.25
    gamma-valerolactone 1323.92
    n-decanol 69.97
    triethyl phosphate 107.64
    4-methyl-2-pentanol 195.94
    propionitrile 450.36
    vinylene carbonate 435.07
    1,1,2-trichlorotrifluoroethane 844.38
    DMS 255.22
    cumene 120.37
    2-octanol 81.43
    2-hexanone 447.27
    octyl acetate 127.81
    limonene 133.23
    1,2-dimethoxyethane 771.77
    ethyl orthosilicate 108.31
    tributyl phosphate 91.87
    diacetone alcohol 457.22
    N,N-dimethylaniline 231.01
    acrylonitrile 476.42
    aniline 777.08
    1,3-propanediol 372.71
    bromobenzene 846.43
    dibromomethane 1643.43
    1,1,2,2-tetrachloroethane 2374.59
    2-methyl-cyclohexyl acetate 211.14
    tetrabutyl urea 111.74
    diisobutyl methanol 85.08
    2-phenylethanol 345.79
    styrene 331.46
    dioctyl adipate 155.61
    dimethyl sulfate 249.74
    ethyl butyrate 265.21
    methyl lactate 236.48
    butyl lactate 182.2
    diethyl carbonate 165.81
    propanediol butyl ether 260.34
    triethyl orthoformate 169.98
    p-tert-butyltoluene 85.07
    methyl 4-tert-butylbenzoate 220.46
    morpholine 1925.81
    tert-butylamine 291.56
    n-dodecanol 51.27
    dimethoxymethane 794.16
    ethylene carbonate 361.56
    cyrene 249.49
    2-ethoxyethyl acetate 363.42
    2-ethylhexyl acetate 280.84
    1,2,4-trichlorobenzene 604.5
    4-methylpyridine 1338.88
    dibutyl ether 148.42
    2,6-dimethyl-4-heptanol 85.08
    DEF 753.48
    dimethyl isosorbide 432.55
    tetrachloroethylene 1102.85
    eugenol 239.73
    triacetin 258.86
    span 80 230.21
    1,4-butanediol 133.56
    1,1-dichloroethane 1675.28
    2-methyl-1-pentanol 421.82
    methyl formate 251.36
    2-methyl-1-butanol 580.81
    n-decane 9.64
    butyronitrile 578.93
    3,7-dimethyl-1-octanol 125.09
    1-chlorooctane 80.08
    1-chlorotetradecane 28.37
    n-nonane 8.32
    undecane 7.15
    tert-butylcyclohexane 29.15
    cyclooctane 19.54
    cyclopentanol 530.81
    tetrahydropyran 1753.55
    tert-amyl methyl ether 410.38
    2,5,8-trioxanonane 441.79
    1-hexene 192.16
    2-isopropoxyethanol 370.33
    2,2,2-trifluoroethanol 87.95
    methyl butyrate 490.37

    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