beta-Calacorene

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    50277-34-4

    Molecular formula
    C15H20

    SMILES
    CC1=CC2=C(C=C1)C(=C)CCC2C(C)C

    Retention indicies (RI)

    • DB5: 1562.6
    • Carbowax: 1956.0

  • Odor profile

    Woody 65.06%
    Spicy 56.53%
    Herbal 53.26%
    Dry 35.74%
    Leathery 32.99%
    Animal 31.56%
    Citrus 31.47%
    Fresh 29.54%
    Phenolic 29.09%
    Camphoreous 28.53%

    Scent© AI

  • Properties

    XLogP3-AA
    4.6

    Molecular weight
    200.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    296°C

    Flash point est.
    109.71 ˚C

  • Synonyms

    • beta-Calacorene
    • .beta.-Calacorene
    • 50277-34-4
    • 4-Isopropyl-6-methyl-1-methylene-1,2,3,4-tetrahydronaphthalene
    • 7-methyl-4-methylidene-1-propan-2-yl-2,3-dihydro-1H-naphthalene
    • Naphthalene, 1,2,3,4-tetrahydro-6-methyl-1-methylene-4-(1-methylethyl)-
    • CHEBI:230232
    • Isopropoxy(isopropyl)dimethylsilane
    • DTXSID301037398
    • DB-259076
    • Q67879717
    • 1,2,3,4-Tetrahydro-6-methyl-1-methylene-4-isopropylnaphthalene

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 305.53
    methanol 128.09
    isopropanol 299.24
    water 0.02
    ethyl acetate 800.26
    n-propanol 352.92
    acetone 907.56
    n-butanol 418.07
    acetonitrile 354.87
    DMF 759.32
    toluene 1159.87
    isobutanol 262.74
    1,4-dioxane 1848.33
    methyl acetate 604.86
    THF 3268.87
    2-butanone 885.28
    n-pentanol 266.93
    sec-butanol 270.55
    n-hexane 219.3
    ethylene glycol 11.94
    NMP 589.22
    cyclohexane 410.64
    DMSO 335.84
    n-butyl acetate 1658.2
    n-octanol 262.99
    chloroform 1735.32
    n-propyl acetate 496.08
    acetic acid 128.12
    dichloromethane 2073.26
    cyclohexanone 1530.35
    propylene glycol 34.92
    isopropyl acetate 518.54
    DMAc 516.88
    2-ethoxyethanol 199.73
    isopentanol 346.02
    n-heptane 381.94
    ethyl formate 397.54
    1,2-dichloroethane 1261.27
    n-hexanol 742.82
    2-methoxyethanol 318.01
    isobutyl acetate 412.36
    tetrachloromethane 283.88
    n-pentyl acetate 527.11
    transcutol 1038.17
    n-heptanol 250.71
    ethylbenzene 459.62
    MIBK 493.26
    2-propoxyethanol 639.85
    tert-butanol 352.81
    MTBE 790.82
    2-butoxyethanol 286.03
    propionic acid 145.08
    o-xylene 440.7
    formic acid 11.23
    diethyl ether 1139.17
    m-xylene 613.95
    p-xylene 546.35
    chlorobenzene 880.01
    dimethyl carbonate 196.15
    n-octane 104.26
    formamide 36.11
    cyclopentanone 1663.71
    2-pentanone 895.43
    anisole 606.95
    cyclopentyl methyl ether 1202.02
    gamma-butyrolactone 1126.56
    1-methoxy-2-propanol 314.08
    pyridine 1665.24
    3-pentanone 619.79
    furfural 649.65
    n-dodecane 65.59
    diethylene glycol 176.47
    diisopropyl ether 324.69
    tert-amyl alcohol 272.43
    acetylacetone 708.33
    n-hexadecane 80.18
    acetophenone 450.08
    methyl propionate 499.6
    isopentyl acetate 1167.48
    trichloroethylene 1913.74
    n-nonanol 242.83
    cyclohexanol 449.15
    benzyl alcohol 310.29
    2-ethylhexanol 554.15
    isooctanol 206.38
    dipropyl ether 1258.03
    1,2-dichlorobenzene 588.55
    ethyl lactate 108.94
    propylene carbonate 578.83
    n-methylformamide 209.84
    2-pentanol 269.29
    n-pentane 186.64
    1-propoxy-2-propanol 574.52
    1-methoxy-2-propyl acetate 794.88
    2-(2-methoxypropoxy) propanol 301.11
    mesitylene 334.18
    ε-caprolactone 941.18
    p-cymene 413.27
    epichlorohydrin 1553.5
    1,1,1-trichloroethane 995.32
    2-aminoethanol 44.77
    morpholine-4-carbaldehyde 722.26
    sulfolane 640.85
    2,2,4-trimethylpentane 66.55
    2-methyltetrahydrofuran 1926.33
    n-hexyl acetate 677.32
    isooctane 72.4
    2-(2-butoxyethoxy)ethanol 414.44
    sec-butyl acetate 343.97
    tert-butyl acetate 544.84
    decalin 138.27
    glycerin 35.76
    diglyme 873.29
    acrylic acid 91.43
    isopropyl myristate 300.19
    n-butyric acid 389.33
    acetyl acetate 392.32
    di(2-ethylhexyl) phthalate 215.08
    ethyl propionate 391.99
    nitromethane 293.06
    1,2-diethoxyethane 1088.76
    benzonitrile 555.01
    trioctyl phosphate 163.31
    1-bromopropane 1085.81
    gamma-valerolactone 1283.13
    n-decanol 193.02
    triethyl phosphate 214.55
    4-methyl-2-pentanol 175.92
    propionitrile 460.44
    vinylene carbonate 457.49
    1,1,2-trichlorotrifluoroethane 305.93
    DMS 394.63
    cumene 271.71
    2-octanol 182.47
    2-hexanone 580.7
    octyl acetate 350.46
    limonene 582.42
    1,2-dimethoxyethane 846.55
    ethyl orthosilicate 233.43
    tributyl phosphate 199.74
    diacetone alcohol 351.2
    N,N-dimethylaniline 375.29
    acrylonitrile 379.64
    aniline 546.52
    1,3-propanediol 131.14
    bromobenzene 1090.92
    dibromomethane 1462.75
    1,1,2,2-tetrachloroethane 1143.01
    2-methyl-cyclohexyl acetate 473.17
    tetrabutyl urea 278.75
    diisobutyl methanol 288.13
    2-phenylethanol 523.86
    styrene 568.33
    dioctyl adipate 347.66
    dimethyl sulfate 186.43
    ethyl butyrate 808.43
    methyl lactate 101.99
    butyl lactate 234.63
    diethyl carbonate 401.18
    propanediol butyl ether 194.41
    triethyl orthoformate 456.0
    p-tert-butyltoluene 392.43
    methyl 4-tert-butylbenzoate 347.1
    morpholine 1772.14
    tert-butylamine 286.29
    n-dodecanol 157.78
    dimethoxymethane 811.74
    ethylene carbonate 432.37
    cyrene 252.59
    2-ethoxyethyl acetate 628.81
    2-ethylhexyl acetate 1002.99
    1,2,4-trichlorobenzene 598.72
    4-methylpyridine 1535.49
    dibutyl ether 681.52
    2,6-dimethyl-4-heptanol 288.13
    DEF 693.34
    dimethyl isosorbide 705.21
    tetrachloroethylene 698.74
    eugenol 275.67
    triacetin 360.71
    span 80 308.14
    1,4-butanediol 45.14
    1,1-dichloroethane 1058.0
    2-methyl-1-pentanol 264.6
    methyl formate 198.1
    2-methyl-1-butanol 301.91
    n-decane 119.01
    butyronitrile 688.53
    3,7-dimethyl-1-octanol 282.16
    1-chlorooctane 348.38
    1-chlorotetradecane 147.87
    n-nonane 123.77
    undecane 86.74
    tert-butylcyclohexane 124.92
    cyclooctane 152.4
    cyclopentanol 407.27
    tetrahydropyran 2510.1
    tert-amyl methyl ether 459.52
    2,5,8-trioxanonane 526.21
    1-hexene 607.8
    2-isopropoxyethanol 193.6
    2,2,2-trifluoroethanol 29.36
    methyl butyrate 522.0

    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
Daniellia oliveri Daniellia oliveri (Rolfe) Hutch & Dalz., fam. Caesalpiniaceae 1.3%
Inula viscosa (Turkey) Inula viscosa (L.) Aiton (Dittrichia viscosa (L.) Greuter), fam.Asteraceae 0.05%
Clary sage (Spain) 8016-63-5 Salvia sclarea L., fam. Lamiaceae (Labiatae) 0.01%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 0.3%
Cabore (Brazil) Micrastur ruficolis, fam. Leguminosae (so-called: officially unknown) 0.01%
Premna serratifolia flower bud Premna serratifolia L. (P.obtusifolia Br.R., P.taitensis Sch.),Verbenaceae 0.01%
Guava fruit (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Hyptis crenata (Brazil) Hyptis crenata Pohl ex Benth, fam. Lamiaceae (Labiatae) 0.01%
Aristolochia gibertii stem Aristolochia gibertii Hook., fam. Aristolochiaceae 0.05%
Geranium (Cuba) 8000-46-2 Pelargonium species, fam. Geraniaceae 0.1%
Baccharis coridifolia Baccharis coridifolia De Candole, fam. Asteraceae (Compositae) 0.1%
Laurel leaf (Turkey) 4 8006-78-8 Laurus nobilis L., fam. Lauraceae 0.1%
Metrosideros robusta leaf Metrosideros robusta A. Cunn., fam. Myrtaceae 0.6%
Calamus (Bangladesh) root 8015-79-0 Acorus calamus L., fam. Araceae 0.01%
Teucrium carolipaui (Spain) Teucrium carolipaui Pau, fam. Lamiaceae (Labiatae) 0.8%
Hypericum olympicum (Yugoslavia) Hypericum olympicum L., fam. Guttiferae (Hyperiaceae) 0.05%
Nepeta argolica (Greece) 1a chemotype 1 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 1.99%
Vetiver (Haiti) 84238-29-9 Vetiveria zizanioides Stapf, fam. Poaceae (Gramineae) 1.5%
Lantana indica leaf (India) Lantana indica Roxb., fam. Verbenaceae 0.01%
Sage, ssp. altissima (Cuba) Salvia officinalis L. ssp. altissima, fam. Lamiaceae (Labiatae) 0.01%
Teucrium montanum (Serbia/Montenegro) Teucrium montanum L., fam. Lamiaceae (Labiatae) 0.3%
Teucrium polium (Serbia/Montenegro) Teucrium polium L., fam. Lamiaceae (Labiatae) 0.4%
Teucrium scordium (Serbia/Montenegro) 90131-54-7 Teucrium scordium L., fam. Lamiaceae (Labiatae) 0.4%
Argyranthemum adauctum ssp. adauctum Argyranthemum adauctum ssp.adauctum Humphries, fam.Asteraceae (Compositae) 0.5%