2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide

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  • Identifiers

    CAS number
    143807-66-3

    Molecular formula
    C24H30N2O3

    SMILES
    CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C

    Safety labels

    Environmental Hazard
    Environmental

  • Odor profile

    Fragrance
    Fruity 34.06%
    Floral 33.57%
    Musk 31.71%
    Odorless 29.11%
    Grape 28.98%
    Grapefruit 27.29%
    Dry 27.23%
    Animal 26.48%
    Citrus 26.37%
    Fatty 26.02%

     

    Flavor
    Bitter 84.34%
    Odorless 30.77%
    Bland 27.55%
    Cedarleaf 19.63%
    Sweet-like 19.11%
    Parsley 18.94%
    Heather 18.69%
    Nitrile 18.64%
    Broom 18.57%
    Lovage 18.2%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    6.27 (neutral)

    Molecular weight
    394.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    965°C

    Flash point

    • 206.49 ˚C est.

  • Synonyms

    • chromafenozide
    • 143807-66-3
    • ANS-118
    • 2ODM465D5M
    • CHEBI:38450
    • DTXSID4057976
    • N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methylchromane-6-carbohydrazide
    • 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
    • RefChem:125834
    • DTXCID2031744
    • 604-382-5
    • ANS118
    • Chromafenozide [ISO]
    • N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-chromene-6-carbohydrazide
    • Matric
    • UNII-2ODM465D5M
    • ANS 118
    • MFCD28015761
    • CHROMAFENOZIDE [MI]
    • SCHEMBL73335
    • 3,4-Dihydro-5-methyl-2H-1-benzopyran-6-carboxylic Acid 2-(3,5-Dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
    • CHEMBL227020
    • orb1308847
    • HPNSNYBUADCFDR-UHFFFAOYSA-N
    • GLXC-03534
    • EX-A3752
    • MSK20307
    • UWC96423
    • BDBM50488460
    • AKOS030526535
    • CS-3319
    • N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-3,4-dihydro-2H-1-benzopyran-6-carbohydrazide
    • DA-72197
    • HY-17533
    • MS-26634
    • NS00005492
    • C18515
    • F85055
    • Chromafenozide, PESTANAL(R), analytical standard
    • Q22807314
    • N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-5-methyl-chromane-6-carbohydrazide
    • 2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-,2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide
    • 143807-66-3

  • Applications

    2H-1-Benzopyran-6-carboxylic acid, 3,4-dihydro-5-methyl-, 2-(3,5-dimethylbenzoyl)-2-(1,1-dimethylethyl)hydrazide (CAS 143807-66-3) is primarily used as an intermediate in organic synthesis and serves as a versatile building block for pharmaceutical and agrochemical development; it is also utilized as a precursor in dye and pigment chemistry for specialty coatings, and can function as a functional monomer or crosslinking component in polymer and coating formulations; in research and development contexts it supports method development and library generation for synthetic routes.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 35.64
    methanol 34.44
    isopropanol 27.2
    water 0.07
    ethyl acetate 88.88
    n-propanol 39.62
    acetone 106.63
    n-butanol 41.02
    acetonitrile 43.0
    DMF 206.87
    toluene 63.43
    isobutanol 34.37
    1,4-dioxane 130.54
    methyl acetate 94.82
    THF 231.94
    2-butanone 117.73
    n-pentanol 36.62
    sec-butanol 32.25
    n-hexane 2.81
    ethylene glycol 5.28
    NMP 261.56
    cyclohexane 3.55
    DMSO 79.51
    n-butyl acetate 71.37
    n-octanol 15.1
    chloroform 365.03
    n-propyl acetate 58.22
    acetic acid 100.88
    dichloromethane 258.34
    cyclohexanone 168.25
    propylene glycol 9.71
    isopropyl acetate 66.37
    DMAc 331.8
    2-ethoxyethanol 65.63
    isopentanol 42.18
    n-heptane 1.58
    ethyl formate 55.32
    1,2-dichloroethane 168.67
    n-hexanol 39.61
    2-methoxyethanol 81.63
    isobutyl acetate 46.67
    tetrachloromethane 30.28
    n-pentyl acetate 53.44
    transcutol 149.66
    n-heptanol 23.58
    ethylbenzene 23.64
    MIBK 63.66
    2-propoxyethanol 103.01
    tert-butanol 31.56
    MTBE 49.83
    2-butoxyethanol 64.82
    propionic acid 49.05
    o-xylene 32.72
    formic acid 32.43
    diethyl ether 58.9
    m-xylene 35.76
    p-xylene 32.48
    chlorobenzene 110.0
    dimethyl carbonate 68.76
    n-octane 0.86
    formamide 46.92
    cyclopentanone 186.45
    2-pentanone 98.42
    anisole 51.59
    cyclopentyl methyl ether 86.09
    gamma-butyrolactone 193.18
    1-methoxy-2-propanol 72.53
    pyridine 125.36
    3-pentanone 91.3
    furfural 161.44
    n-dodecane 0.74
    diethylene glycol 57.78
    diisopropyl ether 16.13
    tert-amyl alcohol 36.0
    acetylacetone 112.79
    n-hexadecane 0.89
    acetophenone 64.41
    methyl propionate 91.61
    isopentyl acetate 71.24
    trichloroethylene 369.89
    n-nonanol 16.82
    cyclohexanol 42.96
    benzyl alcohol 50.65
    2-ethylhexanol 24.15
    isooctanol 20.5
    dipropyl ether 26.85
    1,2-dichlorobenzene 97.33
    ethyl lactate 34.87
    propylene carbonate 109.07
    n-methylformamide 82.04
    2-pentanol 29.49
    n-pentane 2.67
    1-propoxy-2-propanol 61.93
    1-methoxy-2-propyl acetate 91.82
    2-(2-methoxypropoxy) propanol 54.63
    mesitylene 16.82
    ε-caprolactone 141.94
    p-cymene 15.38
    epichlorohydrin 271.38
    1,1,1-trichloroethane 146.79
    2-aminoethanol 16.71
    morpholine-4-carbaldehyde 224.14
    sulfolane 189.16
    2,2,4-trimethylpentane 2.62
    2-methyltetrahydrofuran 126.12
    n-hexyl acetate 57.4
    isooctane 1.53
    2-(2-butoxyethoxy)ethanol 68.99
    sec-butyl acetate 47.82
    tert-butyl acetate 63.79
    decalin 3.0
    glycerin 17.79
    diglyme 140.34
    acrylic acid 53.45
    isopropyl myristate 20.49
    n-butyric acid 79.38
    acetyl acetate 70.08
    di(2-ethylhexyl) phthalate 31.07
    ethyl propionate 58.25
    nitromethane 168.32
    1,2-diethoxyethane 69.18
    benzonitrile 60.3
    trioctyl phosphate 19.36
    1-bromopropane 77.58
    gamma-valerolactone 256.13
    n-decanol 11.55
    triethyl phosphate 31.91
    4-methyl-2-pentanol 22.01
    propionitrile 48.03
    vinylene carbonate 115.17
    1,1,2-trichlorotrifluoroethane 148.3
    DMS 75.06
    cumene 15.64
    2-octanol 14.4
    2-hexanone 68.88
    octyl acetate 28.72
    limonene 19.9
    1,2-dimethoxyethane 113.09
    ethyl orthosilicate 30.71
    tributyl phosphate 24.61
    diacetone alcohol 66.27
    N,N-dimethylaniline 37.05
    acrylonitrile 62.13
    aniline 64.55
    1,3-propanediol 32.19
    bromobenzene 107.68
    dibromomethane 154.35
    1,1,2,2-tetrachloroethane 291.59
    2-methyl-cyclohexyl acetate 45.29
    tetrabutyl urea 35.73
    diisobutyl methanol 13.32
    2-phenylethanol 57.18
    styrene 29.18
    dioctyl adipate 34.54
    dimethyl sulfate 102.81
    ethyl butyrate 49.86
    methyl lactate 48.29
    butyl lactate 44.65
    diethyl carbonate 36.88
    propanediol butyl ether 39.1
    triethyl orthoformate 40.48
    p-tert-butyltoluene 14.27
    methyl 4-tert-butylbenzoate 60.22
    morpholine 144.32
    tert-butylamine 18.07
    n-dodecanol 8.08
    dimethoxymethane 120.85
    ethylene carbonate 95.67
    cyrene 72.37
    2-ethoxyethyl acetate 92.17
    2-ethylhexyl acetate 58.67
    1,2,4-trichlorobenzene 117.78
    4-methylpyridine 141.09
    dibutyl ether 20.21
    2,6-dimethyl-4-heptanol 13.32
    DEF 122.07
    dimethyl isosorbide 110.34
    tetrachloroethylene 165.19
    eugenol 57.94
    triacetin 66.54
    span 80 41.68
    1,4-butanediol 17.16
    1,1-dichloroethane 154.62
    2-methyl-1-pentanol 41.49
    methyl formate 73.2
    2-methyl-1-butanol 43.03
    n-decane 1.42
    butyronitrile 48.39
    3,7-dimethyl-1-octanol 18.49
    1-chlorooctane 10.84
    1-chlorotetradecane 3.98
    n-nonane 1.15
    undecane 0.99
    tert-butylcyclohexane 2.83
    cyclooctane 1.32
    cyclopentanol 46.48
    tetrahydropyran 106.37
    tert-amyl methyl ether 47.37
    2,5,8-trioxanonane 83.04
    1-hexene 15.33
    2-isopropoxyethanol 53.81
    2,2,2-trifluoroethanol 48.91
    methyl butyrate 73.04

    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