Npc216413

Overview IFRA Request a quote

  • Identifiers

    CAS number
    84-79-7

    Molecular formula
    C15H14O3

    SMILES
    CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C

    Safety labels

  • Odor profile

    Fragrance
    Sweet 60.55%
    Herbal 48.04%
    Spicy 46.44%
    Mint 36.26%
    Green 32.06%
    Fruity 31.73%
    Phenolic 31.22%
    Woody 29.79%
    Floral 28.16%
    Caramellic 27.61%

     

    Flavor
    Bitter 68.53%
    Lovage 21.61%
    Basil 20.46%
    Nitrile 19.44%
    Cedarleaf 19.25%
    Leaves 19.21%
    Heather 18.65%
    Parsley 18.61%
    Genet 18.53%
    Outdoor 18.53%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    7.42 (neutral)

    Molecular weight
    242.27 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    400°C

    Flash point

    • 172.34 ˚C est.

  • Synonyms

    • RefChem:1092886
    • Npc216413
    • lapachol
    • 84-79-7
    • Greenhartin
    • Bethabarra wood
    • Taiguic acid
    • Lapachic acid
    • Lapachol wood
    • C.I. Natural Yellow 16
    • Taigu wood
    • IPE-tobacco wood
    • Greenharten
    • Surinam greenheart wood
    • 2-hydroxy-3-(3-methylbut-2-en-1-yl)naphthalene-1,4-dione
    • NSC-11905
    • C.I. 75490
    • Zlut prirodni 16
    • 4-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,2-dione
    • NSC 11905
    • 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone
    • 1,4-Naphthalenedione, 2-hydroxy-3-(3-methyl-2-butenyl)-
    • NSC 629756
    • 2-Hydroxy-3-(3-methyl-2-butenyl)-1,4-naphthalenedione
    • NSC11905
    • MFCD00001679
    • NSC629756
    • 1,4-Naphthoquinone, 2-hydroxy-3-(3-methyl-2-butenyl)-
    • DTXSID6049430
    • B221938VB6
    • NSC-629756
    • 2-Hydroxy-3-(3-methyl-2-buten-1-yl)-1,4-naphthalenedione
    • Tecomin (VAN)
    • Lapachoic acid
    • Zlut prirodni 16 [Czech]
    • CCRIS 745
    • EINECS 201-563-7
    • BRN 2051889
    • Greenhartin;
    • Groenhartin;
    • Taiguic acid;
    • UNII-B221938VB6
    • Lapachol (Standard)
    • 2-Hydroxy-3-(3-methylbut-2-enyl)-1,4-naphthoquinone
    • Lapachol, 98%
    • Natural Yellow-?16
    • IMB-LA
    • LAPACHOL [MI]
    • Spectrum2_001451
    • Spectrum3_000768
    • Spectrum5_001873
    • bmse000989
    • NCIMech_000076
    • Oprea1_717083
    • BSPBio_002416
    • 4-08-00-02487 (Beilstein Handbook Reference)
    • CHEMBL15193
    • DivK1c_000594
    • SCHEMBL157255
    • SCHEMBL157256
    • SPECTRUM1501204
    • SPBio_001341
    • CHEBI:6377
    • orb1303108
    • DTXCID5029390
    • SCHEMBL31492698
    • HMS501N16
    • HY-N6961R
    • KBio1_000594
    • KBio3_001636
    • CWPGNVFCJOPXFB-UHFFFAOYSA-N
    • NINDS_000594
    • GLXC-07402
    • HMS1921B06
    • HMS3869D03
    • HY-N6961
    • Tox21_202948
    • CCG-35464
    • s5684
    • 2-hydroxy-3-(3-methylbut-2-en-1-yl)-1,4-dihydronaphthalene-1,4-dione
    • 4-hydroxy-3-(3-methylbut-2-en-1-yl)-1,2-dihydronaphthalene-1,2-dione
    • AKOS015951424
    • AKOS032948320
    • AC-8971
    • CS-W020951
    • EBC-431044
    • SDCCGMLS-0066666.P001
    • CAS-84-79-7
    • IDI1_000594
    • NCGC00094931-01
    • NCGC00094931-02
    • NCGC00094931-03
    • NCGC00094931-04
    • NCGC00094931-06
    • NCGC00260494-01
    • NCGC00260494-02
    • WLN: L66 BV EVJ CQ D2UY1&1
    • AS-35308
    • CI 75490
    • NCI60_000457
    • NCI60_000587
    • PD087478
    • 1, 2-hydroxy-3-(3-methyl-2-butenyl)-
    • NS00021374
    • Cancer Chemother Rep (part 2) 4: 11 (1974)
    • Q739601
    • SR-05000002489
    • 2-Hydroxy-3-(3-methyl-2-butenyl)naphthoquinone #
    • SR-05000002489-1
    • 2-hydroxy-3-(3-methylbut-2-enyl)naphthalene-1,4-dione
    • 2-Hydroxy-3-(3-methyl-but-2-enyl)-[1,4]naphthoquinone
    • 84-79-7

  • Applications

    Npc216413 can be regarded as an organic synthesis intermediate and may be used as a solvent, stabilizer, or processing aid for various systems. Typical real-world applications include: in polymers/plastics as a solvent or additive; in coatings/inks as a solvent or carrier; in industrial manufacturing as a solvent and processing aid in production processes; in household cleaning products as a solvent or surface-treatment component; in cosmetics/personal care as a solvent or formulation base for personal care products; in pharmaceuticals as an intermediate in chemical synthesis, depending on local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 47.21
    methanol 43.69
    isopropanol 27.44
    water 0.01
    ethyl acetate 121.26
    n-propanol 56.87
    acetone 116.82
    n-butanol 48.15
    acetonitrile 82.98
    DMF 839.39
    toluene 144.81
    isobutanol 36.43
    1,4-dioxane 109.7
    methyl acetate 176.15
    THF 255.92
    2-butanone 222.99
    n-pentanol 34.65
    sec-butanol 43.27
    n-hexane 0.96
    ethylene glycol 8.74
    NMP 559.26
    cyclohexane 2.0
    DMSO 172.37
    n-butyl acetate 80.05
    n-octanol 14.95
    chloroform 256.02
    n-propyl acetate 70.15
    acetic acid 47.76
    dichloromethane 283.36
    cyclohexanone 250.23
    propylene glycol 17.65
    isopropyl acetate 77.92
    DMAc 625.5
    2-ethoxyethanol 74.15
    isopentanol 51.21
    n-heptane 0.93
    ethyl formate 49.23
    1,2-dichloroethane 253.22
    n-hexanol 44.68
    2-methoxyethanol 152.37
    isobutyl acetate 43.66
    tetrachloromethane 12.53
    n-pentyl acetate 43.39
    transcutol 229.0
    n-heptanol 22.63
    ethylbenzene 44.87
    MIBK 89.72
    2-propoxyethanol 114.43
    tert-butanol 51.84
    MTBE 54.06
    2-butoxyethanol 60.84
    propionic acid 60.78
    o-xylene 61.0
    formic acid 16.78
    diethyl ether 53.33
    m-xylene 67.3
    p-xylene 50.48
    chlorobenzene 124.11
    dimethyl carbonate 99.96
    n-octane 0.61
    formamide 71.31
    cyclopentanone 401.48
    2-pentanone 147.56
    anisole 100.9
    cyclopentyl methyl ether 134.18
    gamma-butyrolactone 345.11
    1-methoxy-2-propanol 131.67
    pyridine 343.1
    3-pentanone 131.11
    furfural 249.96
    n-dodecane 0.68
    diethylene glycol 74.35
    diisopropyl ether 15.37
    tert-amyl alcohol 55.04
    acetylacetone 153.49
    n-hexadecane 0.84
    acetophenone 118.26
    methyl propionate 187.04
    isopentyl acetate 82.27
    trichloroethylene 596.64
    n-nonanol 16.01
    cyclohexanol 52.69
    benzyl alcohol 90.45
    2-ethylhexanol 28.68
    isooctanol 20.58
    dipropyl ether 25.36
    1,2-dichlorobenzene 98.19
    ethyl lactate 42.36
    propylene carbonate 135.1
    n-methylformamide 193.91
    2-pentanol 32.39
    n-pentane 0.92
    1-propoxy-2-propanol 73.41
    1-methoxy-2-propyl acetate 110.02
    2-(2-methoxypropoxy) propanol 69.64
    mesitylene 27.14
    ε-caprolactone 200.87
    p-cymene 19.95
    epichlorohydrin 490.94
    1,1,1-trichloroethane 128.64
    2-aminoethanol 30.04
    morpholine-4-carbaldehyde 322.63
    sulfolane 353.54
    2,2,4-trimethylpentane 1.62
    2-methyltetrahydrofuran 170.46
    n-hexyl acetate 56.47
    isooctane 1.23
    2-(2-butoxyethoxy)ethanol 86.2
    sec-butyl acetate 54.29
    tert-butyl acetate 93.34
    decalin 3.01
    glycerin 35.46
    diglyme 180.31
    acrylic acid 63.14
    isopropyl myristate 21.35
    n-butyric acid 78.77
    acetyl acetate 60.35
    di(2-ethylhexyl) phthalate 27.29
    ethyl propionate 73.19
    nitromethane 190.36
    1,2-diethoxyethane 66.08
    benzonitrile 109.1
    trioctyl phosphate 17.93
    1-bromopropane 84.2
    gamma-valerolactone 365.86
    n-decanol 12.01
    triethyl phosphate 32.38
    4-methyl-2-pentanol 26.69
    propionitrile 95.62
    vinylene carbonate 118.39
    1,1,2-trichlorotrifluoroethane 198.25
    DMS 82.59
    cumene 23.62
    2-octanol 14.6
    2-hexanone 82.4
    octyl acetate 27.74
    limonene 24.96
    1,2-dimethoxyethane 143.64
    ethyl orthosilicate 28.66
    tributyl phosphate 22.53
    diacetone alcohol 133.93
    N,N-dimethylaniline 64.75
    acrylonitrile 172.55
    aniline 159.9
    1,3-propanediol 47.79
    bromobenzene 124.3
    dibromomethane 150.87
    1,1,2,2-tetrachloroethane 363.76
    2-methyl-cyclohexyl acetate 50.39
    tetrabutyl urea 33.88
    diisobutyl methanol 18.79
    2-phenylethanol 80.51
    styrene 59.21
    dioctyl adipate 37.37
    dimethyl sulfate 160.85
    ethyl butyrate 51.75
    methyl lactate 80.61
    butyl lactate 42.34
    diethyl carbonate 38.17
    propanediol butyl ether 46.13
    triethyl orthoformate 36.54
    p-tert-butyltoluene 19.73
    methyl 4-tert-butylbenzoate 69.93
    morpholine 211.4
    tert-butylamine 23.05
    n-dodecanol 8.95
    dimethoxymethane 228.9
    ethylene carbonate 89.61
    cyrene 94.83
    2-ethoxyethyl acetate 77.58
    2-ethylhexyl acetate 61.19
    1,2,4-trichlorobenzene 131.44
    4-methylpyridine 361.17
    dibutyl ether 19.56
    2,6-dimethyl-4-heptanol 18.79
    DEF 220.9
    dimethyl isosorbide 151.77
    tetrachloroethylene 161.38
    eugenol 70.81
    triacetin 62.79
    span 80 47.86
    1,4-butanediol 15.49
    1,1-dichloroethane 170.9
    2-methyl-1-pentanol 42.83
    methyl formate 110.8
    2-methyl-1-butanol 50.32
    n-decane 1.05
    butyronitrile 68.99
    3,7-dimethyl-1-octanol 21.69
    1-chlorooctane 10.08
    1-chlorotetradecane 4.26
    n-nonane 0.82
    undecane 0.83
    tert-butylcyclohexane 2.87
    cyclooctane 0.77
    cyclopentanol 63.77
    tetrahydropyran 127.42
    tert-amyl methyl ether 55.86
    2,5,8-trioxanonane 122.05
    1-hexene 10.92
    2-isopropoxyethanol 61.25
    2,2,2-trifluoroethanol 22.92
    methyl butyrate 94.4

    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