Isocalamenediol

Overview IFRA Botanical Request a quote

  • Identifiers

    Molecular formula
    C15H26O2

    SMILES
    CC(C)[C@H]1CC[C@](C2[C@@]1(CC(=C)CC2)O)(C)O

  • Odor profile

    Herbal 64.23%
    Mint 59.0%
    Woody 56.47%
    Camphoreous 52.75%
    Cooling 48.91%
    Spicy 46.78%
    Pine 43.48%
    Earthy 42.81%
    Fresh 41.1%
    Balsamic 36.25%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    238.37 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    351°C

    Flash point est.
    141.21 ˚C

  • Synonyms

    • Isocalamenediol
    • AHNGXHRYFGQWSL-URLJDCLXSA-N
    • Q67879946

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 305.49
    methanol 485.1
    isopropanol 275.86
    water 0.87
    ethyl acetate 174.64
    n-propanol 239.96
    acetone 289.74
    n-butanol 219.27
    acetonitrile 206.25
    DMF 433.77
    toluene 165.15
    isobutanol 176.83
    1,4-dioxane 687.3
    methyl acetate 168.23
    THF 1533.69
    2-butanone 202.0
    n-pentanol 125.23
    sec-butanol 155.67
    n-hexane 12.69
    ethylene glycol 34.91
    NMP 323.29
    cyclohexane 37.78
    DMSO 318.26
    n-butyl acetate 197.36
    n-octanol 108.0
    chloroform 500.01
    n-propyl acetate 127.34
    acetic acid 174.39
    dichloromethane 379.0
    cyclohexanone 398.99
    propylene glycol 74.81
    isopropyl acetate 137.57
    DMAc 220.85
    2-ethoxyethanol 138.18
    isopentanol 175.4
    n-heptane 20.28
    ethyl formate 158.75
    1,2-dichloroethane 174.46
    n-hexanol 236.7
    2-methoxyethanol 316.87
    isobutyl acetate 109.43
    tetrachloromethane 62.81
    n-pentyl acetate 138.64
    transcutol 476.11
    n-heptanol 112.01
    ethylbenzene 65.09
    MIBK 144.68
    2-propoxyethanol 339.31
    tert-butanol 284.62
    MTBE 161.09
    2-butoxyethanol 162.22
    propionic acid 129.94
    o-xylene 81.79
    formic acid 65.92
    diethyl ether 186.11
    m-xylene 115.64
    p-xylene 91.77
    chlorobenzene 167.06
    dimethyl carbonate 76.66
    n-octane 7.52
    formamide 91.21
    cyclopentanone 554.51
    2-pentanone 190.04
    anisole 129.79
    cyclopentyl methyl ether 310.48
    gamma-butyrolactone 575.63
    1-methoxy-2-propanol 296.16
    pyridine 366.28
    3-pentanone 116.71
    furfural 382.77
    n-dodecane 6.42
    diethylene glycol 211.33
    diisopropyl ether 58.71
    tert-amyl alcohol 134.92
    acetylacetone 227.15
    n-hexadecane 7.61
    acetophenone 121.52
    methyl propionate 135.06
    isopentyl acetate 183.81
    trichloroethylene 340.06
    n-nonanol 92.33
    cyclohexanol 205.96
    benzyl alcohol 127.98
    2-ethylhexanol 115.3
    isooctanol 91.27
    dipropyl ether 142.76
    1,2-dichlorobenzene 126.84
    ethyl lactate 72.1
    propylene carbonate 264.54
    n-methylformamide 197.17
    2-pentanol 123.43
    n-pentane 18.09
    1-propoxy-2-propanol 263.49
    1-methoxy-2-propyl acetate 208.57
    2-(2-methoxypropoxy) propanol 149.31
    mesitylene 73.82
    ε-caprolactone 309.97
    p-cymene 66.31
    epichlorohydrin 476.34
    1,1,1-trichloroethane 174.78
    2-aminoethanol 97.26
    morpholine-4-carbaldehyde 368.14
    sulfolane 398.84
    2,2,4-trimethylpentane 9.78
    2-methyltetrahydrofuran 524.58
    n-hexyl acetate 194.65
    isooctane 11.39
    2-(2-butoxyethoxy)ethanol 211.46
    sec-butyl acetate 87.98
    tert-butyl acetate 157.42
    decalin 15.67
    glycerin 101.13
    diglyme 352.95
    acrylic acid 104.99
    isopropyl myristate 73.96
    n-butyric acid 225.4
    acetyl acetate 127.96
    di(2-ethylhexyl) phthalate 84.86
    ethyl propionate 100.3
    nitromethane 294.7
    1,2-diethoxyethane 188.58
    benzonitrile 188.02
    trioctyl phosphate 66.25
    1-bromopropane 119.29
    gamma-valerolactone 620.4
    n-decanol 67.54
    triethyl phosphate 65.05
    4-methyl-2-pentanol 88.77
    propionitrile 180.21
    vinylene carbonate 246.01
    1,1,2-trichlorotrifluoroethane 218.42
    DMS 116.42
    cumene 50.19
    2-octanol 81.09
    2-hexanone 132.34
    octyl acetate 92.66
    limonene 89.43
    1,2-dimethoxyethane 326.71
    ethyl orthosilicate 65.78
    tributyl phosphate 69.9
    diacetone alcohol 180.85
    N,N-dimethylaniline 94.43
    acrylonitrile 196.3
    aniline 169.9
    1,3-propanediol 172.28
    bromobenzene 158.18
    dibromomethane 224.68
    1,1,2,2-tetrachloroethane 256.34
    2-methyl-cyclohexyl acetate 126.46
    tetrabutyl urea 91.69
    diisobutyl methanol 77.86
    2-phenylethanol 176.48
    styrene 73.94
    dioctyl adipate 96.98
    dimethyl sulfate 104.92
    ethyl butyrate 129.25
    methyl lactate 93.14
    butyl lactate 120.51
    diethyl carbonate 82.03
    propanediol butyl ether 172.6
    triethyl orthoformate 107.21
    p-tert-butyltoluene 69.54
    methyl 4-tert-butylbenzoate 146.19
    morpholine 635.53
    tert-butylamine 161.74
    n-dodecanol 48.9
    dimethoxymethane 344.09
    ethylene carbonate 209.27
    cyrene 156.37
    2-ethoxyethyl acetate 163.99
    2-ethylhexyl acetate 142.08
    1,2,4-trichlorobenzene 151.57
    4-methylpyridine 321.66
    dibutyl ether 101.83
    2,6-dimethyl-4-heptanol 77.86
    DEF 172.61
    dimethyl isosorbide 293.0
    tetrachloroethylene 156.7
    eugenol 134.51
    triacetin 147.67
    span 80 167.49
    1,4-butanediol 57.15
    1,1-dichloroethane 183.95
    2-methyl-1-pentanol 99.88
    methyl formate 184.27
    2-methyl-1-butanol 140.65
    n-decane 12.3
    butyronitrile 219.74
    3,7-dimethyl-1-octanol 101.91
    1-chlorooctane 57.76
    1-chlorotetradecane 20.43
    n-nonane 11.35
    undecane 8.67
    tert-butylcyclohexane 14.85
    cyclooctane 12.33
    cyclopentanol 259.92
    tetrahydropyran 583.8
    tert-amyl methyl ether 96.35
    2,5,8-trioxanonane 235.12
    1-hexene 50.46
    2-isopropoxyethanol 109.38
    2,2,2-trifluoroethanol 61.11
    methyl butyrate 135.46

    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
Calamus (Germany) 1b root 8015-79-0 Acorus calamus L., fam. Araceae 5.5%
Calamus (China) 1a leaf 8015-79-0 Acorus calamus L., fam. Araceae 0.58%
Calamus (China) 1b rhizome 8015-79-0 Acorus calamus L., fam. Araceae 8.37%