5-Epi-neointermedeol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    5945-72-2

    Molecular formula
    C15H28O

    SMILES
    CC(C)C1CCC2(CCC[C@](C2C1)(C)O)C

  • Odor profile

    Woody 76.95%
    Herbal 52.71%
    Camphoreous 52.05%
    Earthy 50.98%
    Spicy 50.1%
    Sweet 49.83%
    Pine 49.7%
    Balsamic 47.17%
    Mint 43.14%
    Dry 40.08%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    224.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Very slow

    Boiling point est.
    298°C

    Flash point est.
    120.36 ˚C

  • Synonyms

    • 5-epi-neointermedeol
    • PWTWAHBPEXYEQQ-BOADVZGGSA-N

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 557.52
    methanol 420.23
    isopropanol 573.82
    water 0.36
    ethyl acetate 554.54
    n-propanol 542.03
    acetone 664.52
    n-butanol 515.49
    acetonitrile 488.87
    DMF 542.03
    toluene 588.85
    isobutanol 398.6
    1,4-dioxane 1686.52
    methyl acetate 473.66
    THF 2796.37
    2-butanone 597.0
    n-pentanol 232.31
    sec-butanol 342.05
    n-hexane 104.24
    ethylene glycol 24.86
    NMP 376.66
    cyclohexane 316.93
    DMSO 294.53
    n-butyl acetate 793.77
    n-octanol 244.4
    chloroform 1175.77
    n-propyl acetate 340.18
    acetic acid 193.51
    dichloromethane 837.44
    cyclohexanone 915.94
    propylene glycol 69.17
    isopropyl acetate 433.09
    DMAc 328.12
    2-ethoxyethanol 220.82
    isopentanol 430.51
    n-heptane 168.43
    ethyl formate 311.87
    1,2-dichloroethane 511.05
    n-hexanol 710.56
    2-methoxyethanol 456.89
    isobutyl acetate 303.36
    tetrachloromethane 205.8
    n-pentyl acetate 352.86
    transcutol 1110.9
    n-heptanol 287.82
    ethylbenzene 209.71
    MIBK 371.82
    2-propoxyethanol 726.85
    tert-butanol 616.42
    MTBE 763.4
    2-butoxyethanol 369.68
    propionic acid 219.75
    o-xylene 257.07
    formic acid 40.39
    diethyl ether 791.83
    m-xylene 366.82
    p-xylene 288.06
    chlorobenzene 487.16
    dimethyl carbonate 134.81
    n-octane 49.75
    formamide 77.24
    cyclopentanone 995.62
    2-pentanone 526.1
    anisole 327.99
    cyclopentyl methyl ether 779.04
    gamma-butyrolactone 892.62
    1-methoxy-2-propanol 458.72
    pyridine 895.46
    3-pentanone 346.7
    furfural 548.1
    n-dodecane 31.86
    diethylene glycol 256.43
    diisopropyl ether 269.89
    tert-amyl alcohol 330.4
    acetylacetone 468.29
    n-hexadecane 38.29
    acetophenone 256.86
    methyl propionate 357.44
    isopentyl acetate 689.43
    trichloroethylene 869.2
    n-nonanol 217.86
    cyclohexanol 473.03
    benzyl alcohol 215.28
    2-ethylhexanol 408.69
    isooctanol 227.94
    dipropyl ether 689.76
    1,2-dichlorobenzene 327.6
    ethyl lactate 114.16
    propylene carbonate 450.46
    n-methylformamide 251.37
    2-pentanol 302.58
    n-pentane 122.26
    1-propoxy-2-propanol 647.18
    1-methoxy-2-propyl acetate 594.97
    2-(2-methoxypropoxy) propanol 299.63
    mesitylene 243.19
    ε-caprolactone 649.56
    p-cymene 211.6
    epichlorohydrin 869.08
    1,1,1-trichloroethane 550.19
    2-aminoethanol 104.82
    morpholine-4-carbaldehyde 576.75
    sulfolane 521.76
    2,2,4-trimethylpentane 54.85
    2-methyltetrahydrofuran 1304.78
    n-hexyl acetate 476.91
    isooctane 63.94
    2-(2-butoxyethoxy)ethanol 444.59
    sec-butyl acetate 258.04
    tert-butyl acetate 482.69
    decalin 82.72
    glycerin 83.24
    diglyme 813.54
    acrylic acid 136.41
    isopropyl myristate 198.99
    n-butyric acid 456.16
    acetyl acetate 303.87
    di(2-ethylhexyl) phthalate 161.85
    ethyl propionate 266.98
    nitromethane 362.1
    1,2-diethoxyethane 681.11
    benzonitrile 407.38
    trioctyl phosphate 134.22
    1-bromopropane 499.25
    gamma-valerolactone 1097.09
    n-decanol 156.97
    triethyl phosphate 159.9
    4-methyl-2-pentanol 221.26
    propionitrile 583.68
    vinylene carbonate 415.74
    1,1,2-trichlorotrifluoroethane 318.22
    DMS 263.47
    cumene 149.22
    2-octanol 181.38
    2-hexanone 346.38
    octyl acetate 233.97
    limonene 325.16
    1,2-dimethoxyethane 663.92
    ethyl orthosilicate 169.98
    tributyl phosphate 152.11
    diacetone alcohol 358.12
    N,N-dimethylaniline 210.72
    acrylonitrile 450.38
    aniline 433.51
    1,3-propanediol 239.09
    bromobenzene 532.58
    dibromomethane 633.46
    1,1,2,2-tetrachloroethane 630.44
    2-methyl-cyclohexyl acetate 334.2
    tetrabutyl urea 181.87
    diisobutyl methanol 243.81
    2-phenylethanol 359.71
    styrene 247.29
    dioctyl adipate 221.78
    dimethyl sulfate 140.22
    ethyl butyrate 448.92
    methyl lactate 132.85
    butyl lactate 231.42
    diethyl carbonate 253.32
    propanediol butyl ether 274.22
    triethyl orthoformate 326.84
    p-tert-butyltoluene 234.86
    methyl 4-tert-butylbenzoate 287.85
    morpholine 1496.45
    tert-butylamine 527.5
    n-dodecanol 119.54
    dimethoxymethane 583.44
    ethylene carbonate 379.18
    cyrene 215.85
    2-ethoxyethyl acetate 414.66
    2-ethylhexyl acetate 546.82
    1,2,4-trichlorobenzene 351.76
    4-methylpyridine 835.01
    dibutyl ether 415.7
    2,6-dimethyl-4-heptanol 243.81
    DEF 398.71
    dimethyl isosorbide 579.11
    tetrachloroethylene 391.1
    eugenol 236.9
    triacetin 309.58
    span 80 305.21
    1,4-butanediol 54.48
    1,1-dichloroethane 615.44
    2-methyl-1-pentanol 200.92
    methyl formate 190.74
    2-methyl-1-butanol 327.08
    n-decane 65.45
    butyronitrile 726.98
    3,7-dimethyl-1-octanol 255.0
    1-chlorooctane 196.0
    1-chlorotetradecane 73.47
    n-nonane 64.19
    undecane 43.85
    tert-butylcyclohexane 78.01
    cyclooctane 101.6
    cyclopentanol 487.47
    tetrahydropyran 1774.75
    tert-amyl methyl ether 362.74
    2,5,8-trioxanonane 485.8
    1-hexene 283.55
    2-isopropoxyethanol 196.81
    2,2,2-trifluoroethanol 62.02
    methyl butyrate 338.74

    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
Eucalyptus globulus (Spain) 2a old leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.12%
Eucalyptus globulus (Spain) 2b young leaves 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.54%
Eucalyptus globulus (Spain) 2c mature fruits 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.22%
Eucalyptus globulus (Yugoslavia) 1b flower buds 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.04%
Artemisia barrelieri Artemisia barrelieri Besser, fam. Asteraceae (Compositae) 1.1%