Lactarazulene

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  • Identifiers

    CAS number
    489-85-0

    Molecular formula
    C15H16

    SMILES
    CC1=C2C=CC(=C2C=C(C=C1)C(=C)C)C

    Safety labels

  • Odor profile

    Fragrance
    Herbal 43.9%
    Floral 42.61%
    Woody 40.52%
    Spicy 39.03%
    Sweet 36.88%
    Phenolic 35.33%
    Leathery 34.74%
    Musty 32.44%
    Animal 30.57%
    Dry 28.37%

     

    Flavor
    Phenolic 27.01%
    Camphor 23.81%
    Medicinal 23.52%
    Guaiacol 23.31%
    Styrene 22.93%
    Woody 21.65%
    Flat 21.55%
    Very strong 21.39%
    Indole 21.2%
    Thymol 20.65%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    5.0

    pKa est.
    8.54 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    313°C

    Flash point

    • 116.54 ˚C est.

  • Synonyms

    • Lactarazulene
    • 1,4-dimethyl-7-prop-1-en-2-ylazulene
    • GD5E5UK4YX
    • Azulene, 1,4-dimethyl-7-(1-methylethenyl)-
    • 1,4-Dimethyl-7-(1-methylethenyl)azulene
    • 1,4-Dimethyl-7-isopropenylazulene
    • 1,4-dimethyl-7-(prop-1-en-2-yl)azulene
    • DTXSID90197635
    • 7-Isopropenyl-1,4-dimethylazulene
    • 7-Isopropenyl-1,4-dimethyl-Azulene
    • 1,4-Dimethyl-7-(1-methylethenyl)-Azulene
    • 1,4-DIMETHYL-7-PROP-1-EN-2-YL-AZULENE
    • RefChem:152042
    • DTXCID50120126
    • KFLXZUPIDNPCSD-UHFFFAOYSA-N
    • 489-85-0
    • Azulene, 7-isopropenyl-1,4-dimethyl-
    • UNII-GD5E5UK4YX
    • Lactarazulen
    • SCHEMBL10319805
    • SCHEMBL30105652
    • CHEBI:173540
    • 1,4-dimethyl-7 -(1-methylethenyl)azulene
    • 489-85-0

  • Applications

    Lactarazulene (CAS 489-85-0) is an azulene-type compound bearing a lactone moiety, with practical applications currently documented mainly as potential or actively evaluated in industrial contexts. It can be used as an organic synthesis intermediate for chemical production pathways; serve as a pigment/dye precursor to impart blue coloration in coatings, inks, and plastics, supporting color and optical properties; may function as a specialty additive in polymers or coatings to influence color stability and performance; might be considered as a fragrance intermediate or odorant component in perfumery, depending on its odor properties and regulatory constraints; early-stage research suggests potential in electronics/optoelectronic materials as a chromophore or functional component for specialty applications, though further validation is needed. Use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 133.97
    methanol 56.52
    isopropanol 127.93
    water 0.04
    ethyl acetate 541.93
    n-propanol 158.49
    acetone 631.12
    n-butanol 171.78
    acetonitrile 227.65
    DMF 762.18
    toluene 697.28
    isobutanol 126.37
    1,4-dioxane 1120.69
    methyl acetate 460.45
    THF 2092.94
    2-butanone 712.2
    n-pentanol 143.18
    sec-butanol 148.11
    n-hexane 124.54
    ethylene glycol 9.53
    NMP 563.73
    cyclohexane 160.56
    DMSO 248.18
    n-butyl acetate 787.5
    n-octanol 180.35
    chloroform 1214.49
    n-propyl acetate 404.94
    acetic acid 82.75
    dichloromethane 1434.8
    cyclohexanone 917.23
    propylene glycol 25.26
    isopropyl acetate 337.78
    DMAc 555.01
    2-ethoxyethanol 146.98
    isopentanol 153.07
    n-heptane 233.7
    ethyl formate 296.48
    1,2-dichloroethane 802.19
    n-hexanol 302.59
    2-methoxyethanol 186.46
    isobutyl acetate 332.29
    tetrachloromethane 210.85
    n-pentyl acetate 378.73
    transcutol 515.47
    n-heptanol 162.39
    ethylbenzene 457.4
    MIBK 316.5
    2-propoxyethanol 303.96
    tert-butanol 194.2
    MTBE 454.19
    2-butoxyethanol 189.39
    propionic acid 103.82
    o-xylene 326.38
    formic acid 9.12
    diethyl ether 624.75
    m-xylene 400.82
    p-xylene 572.62
    chlorobenzene 523.09
    dimethyl carbonate 205.22
    n-octane 88.74
    formamide 38.88
    cyclopentanone 1254.26
    2-pentanone 571.69
    anisole 612.45
    cyclopentyl methyl ether 675.68
    gamma-butyrolactone 886.33
    1-methoxy-2-propanol 185.17
    pyridine 1120.38
    3-pentanone 486.87
    furfural 541.98
    n-dodecane 55.86
    diethylene glycol 92.58
    diisopropyl ether 191.53
    tert-amyl alcohol 182.68
    acetylacetone 557.96
    n-hexadecane 67.26
    acetophenone 435.36
    methyl propionate 388.28
    isopentyl acetate 618.47
    trichloroethylene 1374.34
    n-nonanol 185.08
    cyclohexanol 183.91
    benzyl alcohol 246.43
    2-ethylhexanol 294.85
    isooctanol 147.02
    dipropyl ether 787.75
    1,2-dichlorobenzene 412.69
    ethyl lactate 99.86
    propylene carbonate 431.92
    n-methylformamide 181.49
    2-pentanol 130.11
    n-pentane 77.78
    1-propoxy-2-propanol 283.24
    1-methoxy-2-propyl acetate 455.57
    2-(2-methoxypropoxy) propanol 240.35
    mesitylene 232.35
    ε-caprolactone 608.66
    p-cymene 303.4
    epichlorohydrin 1067.6
    1,1,1-trichloroethane 726.92
    2-aminoethanol 31.32
    morpholine-4-carbaldehyde 561.57
    sulfolane 526.28
    2,2,4-trimethylpentane 43.28
    2-methyltetrahydrofuran 1084.29
    n-hexyl acetate 466.11
    isooctane 38.08
    2-(2-butoxyethoxy)ethanol 281.2
    sec-butyl acetate 296.3
    tert-butyl acetate 358.47
    decalin 104.81
    glycerin 27.09
    diglyme 650.25
    acrylic acid 74.48
    isopropyl myristate 252.62
    n-butyric acid 211.58
    acetyl acetate 308.36
    di(2-ethylhexyl) phthalate 172.63
    ethyl propionate 369.25
    nitromethane 249.98
    1,2-diethoxyethane 645.38
    benzonitrile 352.37
    trioctyl phosphate 132.1
    1-bromopropane 589.45
    gamma-valerolactone 918.02
    n-decanol 150.04
    triethyl phosphate 190.07
    4-methyl-2-pentanol 94.06
    propionitrile 294.13
    vinylene carbonate 372.85
    1,1,2-trichlorotrifluoroethane 231.46
    DMS 338.26
    cumene 275.64
    2-octanol 143.99
    2-hexanone 468.29
    octyl acetate 292.26
    limonene 372.17
    1,2-dimethoxyethane 693.33
    ethyl orthosilicate 190.9
    tributyl phosphate 161.04
    diacetone alcohol 232.9
    N,N-dimethylaniline 416.3
    acrylonitrile 275.54
    aniline 319.3
    1,3-propanediol 68.23
    bromobenzene 678.13
    dibromomethane 924.28
    1,1,2,2-tetrachloroethane 825.96
    2-methyl-cyclohexyl acetate 401.61
    tetrabutyl urea 242.96
    diisobutyl methanol 175.75
    2-phenylethanol 348.79
    styrene 506.77
    dioctyl adipate 313.02
    dimethyl sulfate 204.94
    ethyl butyrate 586.46
    methyl lactate 82.63
    butyl lactate 153.11
    diethyl carbonate 334.18
    propanediol butyl ether 122.96
    triethyl orthoformate 329.4
    p-tert-butyltoluene 284.3
    methyl 4-tert-butylbenzoate 345.35
    morpholine 964.81
    tert-butylamine 147.62
    n-dodecanol 125.34
    dimethoxymethane 582.56
    ethylene carbonate 321.33
    cyrene 233.75
    2-ethoxyethyl acetate 440.7
    2-ethylhexyl acetate 565.5
    1,2,4-trichlorobenzene 437.32
    4-methylpyridine 968.33
    dibutyl ether 508.69
    2,6-dimethyl-4-heptanol 175.75
    DEF 518.64
    dimethyl isosorbide 566.94
    tetrachloroethylene 475.9
    eugenol 267.95
    triacetin 313.22
    span 80 210.97
    1,4-butanediol 32.79
    1,1-dichloroethane 688.15
    2-methyl-1-pentanol 159.77
    methyl formate 183.97
    2-methyl-1-butanol 146.7
    n-decane 102.33
    butyronitrile 360.43
    3,7-dimethyl-1-octanol 189.16
    1-chlorooctane 262.46
    1-chlorotetradecane 114.38
    n-nonane 105.55
    undecane 72.97
    tert-butylcyclohexane 104.62
    cyclooctane 72.65
    cyclopentanol 212.42
    tetrahydropyran 1205.2
    tert-amyl methyl ether 326.23
    2,5,8-trioxanonane 430.1
    1-hexene 381.22
    2-isopropoxyethanol 151.9
    2,2,2-trifluoroethanol 30.6
    methyl butyrate 472.48

    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