Totarol

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    511-15-9

    Molecular formula
    C20H30O

    SMILES
    CC(C)C1=C(C=CC2=C1CC[C@@H]3[C@@]2(CCCC3(C)C)C)O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 2302.5

  • Odor profile

    Woody 61.4%
    Musk 53.65%
    Amber 45.91%
    Spicy 45.4%
    Dry 45.3%
    Phenolic 42.48%
    Sweet 41.65%
    Leathery 37.75%
    Animal 34.32%
    Powdery 31.36%

    Scent© AI

  • Properties

    XLogP3-AA
    6.7

    Molecular weight
    286.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    428°C

    Flash point est.
    191.24 ˚C

  • Synonyms

    • Totarol
    • 511-15-9
    • (+)-Totarol
    • 14-Isopropylpodocarpa-8,11,13-trien-13-ol
    • UNII-67NH2854WW
    • 67NH2854WW
    • (+)-8,11,13-totara-trien-13-ol
    • trans-Totarol
    • (4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-ol
    • DTXSID9047752
    • CHEBI:69241
    • NSC 299936
    • NSC-299936
    • 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS,8aS)-
    • 2-Phenanthrenol, 4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-, (4bS-trans)-
    • PODOCARPA-8,11,13-TRIEN-13-OL, 14-ISOPROPY
    • (4BS-TRANS)-4B,5,6,7,8,8A,9,10-OCTAHYDRO-4B,8,8-TRIMETHYL-1-(1-ISOPROPYL)-2-PHENANTHRENOL
    • (4bS)-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol (>90%)
    • (4bS)-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol, 60%
    • (4bS-trans)-4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol; 14-Isopropylpodocarpa-8,11,13-trien-13-ol
    • Totarol - 98%
    • TOTAROL [INCI]
    • (4bS)-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol
    • MLS002695958
    • SCHEMBL285501
    • CHEMBL487602
    • DTXCID4027735
    • BCBcMAP01_000081
    • ZRVDANDJSTYELM-FXAWDEMLSA-N
    • HY-N1136
    • BDBM50392993
    • AKOS025296157
    • FS-9301
    • FT65191
    • LMPR0104070001
    • 4b,5,6,7,8,8a,9,10-Octahydro-4b,8,8-trimethyl-1-(1-methylethyl)-2-phenanthrenol
    • SMP1_000215
    • NCGC00385162-01
    • FT159642
    • SMR001562118
    • CS-0016424
    • G78505
    • Q7828277
    • (4AS,10AS)-7-HYDROXY-8-ISOPROPYL-1,1,4A-TRIMETHYL-1,2,3,4,4A,9,10,10A-OCTAHYDROPHENANTHRENE
    • (4bS)-trans-8,8-Trimethyl-4b,5,6,7,8,8a,9,10-octahydro-1-isopropylphenanthren-2-ol, 98%
    • (4bS,8aS)-4b,8,8-trimethyl-1-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthren-2-ol

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 656.51
    methanol 327.8
    isopropanol 616.34
    water 0.06
    ethyl acetate 802.2
    n-propanol 795.11
    acetone 1078.0
    n-butanol 763.39
    acetonitrile 324.22
    DMF 1718.04
    toluene 886.56
    isobutanol 515.12
    1,4-dioxane 1838.14
    methyl acetate 531.66
    THF 4464.1
    2-butanone 856.91
    n-pentanol 272.19
    sec-butanol 343.98
    n-hexane 65.72
    ethylene glycol 20.22
    NMP 701.56
    cyclohexane 140.58
    DMSO 358.81
    n-butyl acetate 735.51
    n-octanol 142.42
    chloroform 1027.98
    n-propyl acetate 333.22
    acetic acid 121.23
    dichloromethane 1008.04
    cyclohexanone 1377.99
    propylene glycol 45.93
    isopropyl acetate 635.84
    DMAc 611.38
    2-ethoxyethanol 313.43
    isopentanol 515.73
    n-heptane 61.17
    ethyl formate 268.73
    1,2-dichloroethane 917.17
    n-hexanol 598.34
    2-methoxyethanol 770.32
    isobutyl acetate 298.23
    tetrachloromethane 154.74
    n-pentyl acetate 432.78
    transcutol 986.48
    n-heptanol 212.4
    ethylbenzene 200.03
    MIBK 617.69
    2-propoxyethanol 992.31
    tert-butanol 621.27
    MTBE 1127.12
    2-butoxyethanol 375.68
    propionic acid 164.62
    o-xylene 273.71
    formic acid 22.89
    diethyl ether 1617.91
    m-xylene 513.16
    p-xylene 242.13
    chlorobenzene 551.39
    dimethyl carbonate 241.23
    n-octane 23.32
    formamide 62.66
    cyclopentanone 1650.25
    2-pentanone 1080.87
    anisole 375.37
    cyclopentyl methyl ether 1603.8
    gamma-butyrolactone 1200.86
    1-methoxy-2-propanol 715.73
    pyridine 1259.67
    3-pentanone 626.73
    furfural 592.15
    n-dodecane 12.96
    diethylene glycol 279.95
    diisopropyl ether 378.0
    tert-amyl alcohol 290.82
    acetylacetone 721.47
    n-hexadecane 16.09
    acetophenone 251.6
    methyl propionate 657.22
    isopentyl acetate 707.86
    trichloroethylene 1208.86
    n-nonanol 138.11
    cyclohexanol 476.37
    benzyl alcohol 212.18
    2-ethylhexanol 260.92
    isooctanol 169.15
    dipropyl ether 618.76
    1,2-dichlorobenzene 349.49
    ethyl lactate 97.63
    propylene carbonate 425.54
    n-methylformamide 441.88
    2-pentanol 407.97
    n-pentane 96.34
    1-propoxy-2-propanol 674.65
    1-methoxy-2-propyl acetate 719.39
    2-(2-methoxypropoxy) propanol 227.53
    mesitylene 261.22
    ε-caprolactone 836.64
    p-cymene 145.69
    epichlorohydrin 1647.34
    1,1,1-trichloroethane 608.05
    2-aminoethanol 106.37
    morpholine-4-carbaldehyde 903.45
    sulfolane 698.0
    2,2,4-trimethylpentane 36.23
    2-methyltetrahydrofuran 1886.28
    n-hexyl acetate 470.54
    isooctane 47.11
    2-(2-butoxyethoxy)ethanol 366.83
    sec-butyl acetate 264.34
    tert-butyl acetate 669.16
    decalin 48.37
    glycerin 56.44
    diglyme 806.44
    acrylic acid 96.95
    isopropyl myristate 154.72
    n-butyric acid 424.64
    acetyl acetate 295.04
    di(2-ethylhexyl) phthalate 120.68
    ethyl propionate 303.29
    nitromethane 327.22
    1,2-diethoxyethane 717.35
    benzonitrile 353.3
    trioctyl phosphate 100.14
    1-bromopropane 731.53
    gamma-valerolactone 1793.42
    n-decanol 96.28
    triethyl phosphate 117.81
    4-methyl-2-pentanol 242.03
    propionitrile 544.89
    vinylene carbonate 370.95
    1,1,2-trichlorotrifluoroethane 321.71
    DMS 317.43
    cumene 121.42
    2-octanol 129.72
    2-hexanone 362.67
    octyl acetate 193.58
    limonene 224.08
    1,2-dimethoxyethane 818.5
    ethyl orthosilicate 135.09
    tributyl phosphate 115.6
    diacetone alcohol 446.73
    N,N-dimethylaniline 225.32
    acrylonitrile 438.43
    aniline 535.95
    1,3-propanediol 291.07
    bromobenzene 635.01
    dibromomethane 727.68
    1,1,2,2-tetrachloroethane 769.13
    2-methyl-cyclohexyl acetate 260.77
    tetrabutyl urea 156.68
    diisobutyl methanol 158.57
    2-phenylethanol 357.07
    styrene 250.63
    dioctyl adipate 166.25
    dimethyl sulfate 221.22
    ethyl butyrate 339.89
    methyl lactate 139.22
    butyl lactate 214.86
    diethyl carbonate 167.25
    propanediol butyl ether 207.31
    triethyl orthoformate 254.44
    p-tert-butyltoluene 170.21
    methyl 4-tert-butylbenzoate 259.84
    morpholine 2252.6
    tert-butylamine 467.72
    n-dodecanol 70.44
    dimethoxymethane 1904.63
    ethylene carbonate 370.52
    cyrene 204.3
    2-ethoxyethyl acetate 571.7
    2-ethylhexyl acetate 513.04
    1,2,4-trichlorobenzene 350.93
    4-methylpyridine 1289.56
    dibutyl ether 295.62
    2,6-dimethyl-4-heptanol 158.57
    DEF 840.9
    dimethyl isosorbide 494.48
    tetrachloroethylene 468.9
    eugenol 219.54
    triacetin 247.74
    span 80 202.24
    1,4-butanediol 57.91
    1,1-dichloroethane 781.03
    2-methyl-1-pentanol 219.06
    methyl formate 274.46
    2-methyl-1-butanol 410.52
    n-decane 28.57
    butyronitrile 706.33
    3,7-dimethyl-1-octanol 159.69
    1-chlorooctane 145.65
    1-chlorotetradecane 45.8
    n-nonane 26.67
    undecane 18.45
    tert-butylcyclohexane 47.05
    cyclooctane 52.93
    cyclopentanol 472.24
    tetrahydropyran 2560.67
    tert-amyl methyl ether 491.15
    2,5,8-trioxanonane 385.09
    1-hexene 232.56
    2-isopropoxyethanol 239.12
    2,2,2-trifluoroethanol 39.98
    methyl butyrate 362.87

    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
Cedarleaf (U.S.A.) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.07%
Juniperus rigida (China) Juniperus rigida Mig., fam. Cupressaceae 0.05%
Cypress, Leyland (Poland) Cupressocyparis leylandii (Dall. et Jacks.) Dall., fam. Cupressaceae 0.01%
Juniperus cedrus (Portugal-Madeira) Juniperus cedrus Webb & Berth. (J. oxycedrus L), fam. Cupressaceae 1.5%