precocene II

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    644-06-4

    Molecular formula
    C13H16O3

    SMILES
    CC1(C=CC2=CC(=C(C=C2O1)OC)OC)C

    Safety labels

    Health Hazard
    Health

    Retention indicies (RI)

    • Carbowax: 2084.0

  • Odor profile

    Fragrance
    Spicy 61.68%
    Sweet 53.13%
    Phenolic 48.69%
    Woody 48.69%
    Vanilla 39.08%
    Powdery 37.57%
    Floral 35.55%
    Smoky 35.02%
    Balsamic 30.54%
    Clove 28.21%

     

    Flavor
    Bitter 60.78%
    Spice 28.04%
    Woody 25.57%
    Camphor 24.61%
    Parsley 22.22%
    Eugenol 21.5%
    Ripe apricot 20.48%
    Red fruit 20.28%
    Earthy 19.96%
    Carrot 19.91%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.3

    pKa est.
    7.73 (neutral)

    Molecular weight
    220.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point

    • 121.64 ˚C est.

  • Synonyms

    • Precocene II
    • 644-06-4
    • Ageratochromene
    • Precocene 2
    • PRICOCENE II
    • 6,7-Dimethoxy-2,2-dimethyl-2H-chromene
    • Precocen 2
    • 6,7-dimethoxy-2,2-dimethylchromene
    • 2H-1-BENZOPYRAN, 6,7-DIMETHOXY-2,2-DIMETHYL-
    • 6,7-Dimethoxy-2,2-dimethyl2H-1-benzopyran
    • 6,7-Dimethoxy-2,2-dimethyl-2H-benzo(b)pyran
    • Preconene II
    • EINECS 211-408-5
    • 1W2R4TRY5H
    • NSC 318792
    • BRN 0160683
    • CHEBI:35606
    • AI3-36847
    • NSC-318792
    • DTXSID9060942
    • 6,7-Dimethoxy-2,2-dimethyl-2H-1-benzopyran
    • 5-17-05-00288 (Beilstein Handbook Reference)
    • UNII-1W2R4TRY5H
    • Prococene II
    • 6,7-methoxy-2,2-dimethylchromene
    • SCHEMBL119925
    • CHEMBL448964
    • DTXCID9044299
    • NSC318792
    • STL564529
    • AKOS024306983
    • 6,7-Dimethoxy-2,2-dimethyl-3-chromene
    • NCGC00160199-01
    • NCGC00160199-01!PRECOCENE II
    • DB-054653
    • Dimethoxy-2,2-dimethyl-3-chromene, 6,7-
    • HY-122940
    • 2H-1-Benzopyran,7-dimethoxy-2,2-dimethyl-
    • 6,7-Dimethoxy-2,2-dimethyl-2H-chromene #
    • CS-0090588
    • NS00010549
    • C09018
    • Q27104316
    • 6,7-dimethoxy-2,2-dimethyl-(2H)-benzopyran (Precocene II )

  • Applications

    Precocene II (CAS 644-06-4) is mainly used as a research tool and reference compound in entomology, acting as an insect juvenile hormone synthesis inhibitor; in agricultural R&D and integrated pest management, it serves as a foundation for evaluating and developing insect growth regulator candidates for pest control; in laboratory settings, it commonly functions as a reference reagent or starting material for synthesizing related juvenile hormone–like compounds; it is also used as an intermediate for preparing precocene derivatives in chemical and pharmaceutical research; in addition, it is evaluated in studies of insect behavior and physiology.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 79.32
    methanol 84.15
    isopropanol 71.08
    water 0.74
    ethyl acetate 325.29
    n-propanol 79.0
    acetone 330.2
    n-butanol 83.14
    acetonitrile 278.99
    DMF 483.07
    toluene 168.15
    isobutanol 75.09
    1,4-dioxane 533.24
    methyl acetate 344.56
    THF 655.07
    2-butanone 264.73
    n-pentanol 62.41
    sec-butanol 72.75
    n-hexane 22.58
    ethylene glycol 51.66
    NMP 478.73
    cyclohexane 66.6
    DMSO 489.87
    n-butyl acetate 194.97
    n-octanol 63.75
    chloroform 1271.44
    n-propyl acetate 175.09
    acetic acid 258.14
    dichloromethane 1115.11
    cyclohexanone 393.83
    propylene glycol 51.11
    isopropyl acetate 187.48
    DMAc 559.82
    2-ethoxyethanol 169.03
    isopentanol 94.49
    n-heptane 19.2
    ethyl formate 202.48
    1,2-dichloroethane 665.9
    n-hexanol 93.28
    2-methoxyethanol 261.06
    isobutyl acetate 128.46
    tetrachloromethane 180.81
    n-pentyl acetate 126.17
    transcutol 574.18
    n-heptanol 52.79
    ethylbenzene 102.06
    MIBK 146.67
    2-propoxyethanol 213.17
    tert-butanol 149.57
    MTBE 200.84
    2-butoxyethanol 120.37
    propionic acid 158.26
    o-xylene 132.61
    formic acid 98.13
    diethyl ether 208.03
    m-xylene 134.97
    p-xylene 131.9
    chlorobenzene 303.41
    dimethyl carbonate 243.43
    n-octane 10.33
    formamide 167.05
    cyclopentanone 483.59
    2-pentanone 206.31
    anisole 239.88
    cyclopentyl methyl ether 299.3
    gamma-butyrolactone 606.47
    1-methoxy-2-propanol 192.84
    pyridine 331.85
    3-pentanone 231.51
    furfural 558.87
    n-dodecane 11.21
    diethylene glycol 207.67
    diisopropyl ether 81.93
    tert-amyl alcohol 123.67
    acetylacetone 345.63
    n-hexadecane 13.22
    acetophenone 218.19
    methyl propionate 291.9
    isopentyl acetate 187.38
    trichloroethylene 1267.6
    n-nonanol 60.39
    cyclohexanol 153.47
    benzyl alcohol 140.62
    2-ethylhexanol 83.07
    isooctanol 50.41
    dipropyl ether 110.57
    1,2-dichlorobenzene 309.61
    ethyl lactate 105.56
    propylene carbonate 391.04
    n-methylformamide 189.07
    2-pentanol 69.31
    n-pentane 19.92
    1-propoxy-2-propanol 140.56
    1-methoxy-2-propyl acetate 227.24
    2-(2-methoxypropoxy) propanol 163.9
    mesitylene 92.23
    ε-caprolactone 361.14
    p-cymene 72.94
    epichlorohydrin 705.29
    1,1,1-trichloroethane 644.17
    2-aminoethanol 63.25
    morpholine-4-carbaldehyde 513.61
    sulfolane 610.73
    2,2,4-trimethylpentane 21.27
    2-methyltetrahydrofuran 400.37
    n-hexyl acetate 188.06
    isooctane 15.35
    2-(2-butoxyethoxy)ethanol 187.9
    sec-butyl acetate 138.74
    tert-butyl acetate 211.97
    decalin 37.59
    glycerin 104.14
    diglyme 410.41
    acrylic acid 177.94
    isopropyl myristate 84.42
    n-butyric acid 192.27
    acetyl acetate 322.82
    di(2-ethylhexyl) phthalate 84.48
    ethyl propionate 194.73
    nitromethane 582.28
    1,2-diethoxyethane 219.18
    benzonitrile 210.38
    trioctyl phosphate 61.75
    1-bromopropane 264.82
    gamma-valerolactone 550.93
    n-decanol 47.22
    triethyl phosphate 122.29
    4-methyl-2-pentanol 58.13
    propionitrile 169.87
    vinylene carbonate 393.63
    1,1,2-trichlorotrifluoroethane 481.95
    DMS 264.6
    cumene 75.83
    2-octanol 41.17
    2-hexanone 148.0
    octyl acetate 103.8
    limonene 96.82
    1,2-dimethoxyethane 365.63
    ethyl orthosilicate 110.53
    tributyl phosphate 86.91
    diacetone alcohol 186.97
    N,N-dimethylaniline 156.22
    acrylonitrile 237.2
    aniline 195.41
    1,3-propanediol 101.67
    bromobenzene 358.87
    dibromomethane 648.84
    1,1,2,2-tetrachloroethane 1003.4
    2-methyl-cyclohexyl acetate 151.72
    tetrabutyl urea 100.25
    diisobutyl methanol 56.73
    2-phenylethanol 143.61
    styrene 124.77
    dioctyl adipate 128.8
    dimethyl sulfate 385.53
    ethyl butyrate 157.52
    methyl lactate 154.82
    butyl lactate 99.19
    diethyl carbonate 152.38
    propanediol butyl ether 107.73
    triethyl orthoformate 130.95
    p-tert-butyltoluene 75.09
    methyl 4-tert-butylbenzoate 172.36
    morpholine 446.63
    tert-butylamine 97.24
    n-dodecanol 39.46
    dimethoxymethane 371.13
    ethylene carbonate 338.86
    cyrene 193.8
    2-ethoxyethyl acetate 207.48
    2-ethylhexyl acetate 165.53
    1,2,4-trichlorobenzene 366.94
    4-methylpyridine 332.69
    dibutyl ether 105.98
    2,6-dimethyl-4-heptanol 56.73
    DEF 283.14
    dimethyl isosorbide 321.08
    tetrachloroethylene 583.59
    eugenol 142.36
    triacetin 242.58
    span 80 117.17
    1,4-butanediol 47.88
    1,1-dichloroethane 545.64
    2-methyl-1-pentanol 78.72
    methyl formate 239.58
    2-methyl-1-butanol 89.62
    n-decane 17.01
    butyronitrile 154.71
    3,7-dimethyl-1-octanol 73.21
    1-chlorooctane 73.21
    1-chlorotetradecane 34.89
    n-nonane 15.96
    undecane 13.44
    tert-butylcyclohexane 31.52
    cyclooctane 24.99
    cyclopentanol 147.98
    tetrahydropyran 373.17
    tert-amyl methyl ether 164.74
    2,5,8-trioxanonane 299.31
    1-hexene 61.04
    2-isopropoxyethanol 130.36
    2,2,2-trifluoroethanol 178.08
    methyl butyrate 214.86

    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

Botanical

Name CAS Botanical Proportion
Ageratum conyzoides (Vietnam) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 29.0%
Ageratum conyzoides flower (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 45.05%
Ageratum conyzoides plant 1 (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 38.5%
Ageratum conyzoides plant 2 (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 48.8%
Ageratum conyzoides (Ghana) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 80.29%
Ageratum conyzoides (China) Ageratum conyzoides L., fam. Asteraceae (Compositae) 21.25%
Ageratum houstonianum (India) Ageratum houstonianum Mill., fam. Asteraceae (Compositae) 23.34%
Ageratum conyzoides flower (Pakistan) Ageratum conyzoides L., fam. Asteraceae (Compositae) 30.3%
Ageratum conyzoides leaf and stem (Pakistan) Ageratum conyzoides L., fam. Asteraceae (Compositae) 26.6%
Coreopsis grandiflora leaf (Cameroon) Coreopsis grandiflora Hogg ex Sweet, fam. Asteraceae (Compositae) 0.9%
Bidens pilosa (Cameroon) Bidens pilosa L., fam. Asteraceae (Compositae) 0.5%
Ageratum conyzoides leaf (Cameroon) Ageratum conyzoides L., fam. Asteraceae (Compositae) 81.0%
Ageratum conyzoides (Nigeria) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 63.8%