Cedrol formate

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  • Identifiers

    CAS number
    39900-38-4

    Molecular formula
    C16H26O2

    SMILES
    C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Woody 92.21%
    Amber 62.79%
    Cedar 62.26%
    Dry 56.49%
    Vetiver 48.47%
    Sandalwood 46.65%
    Balsamic 45.09%
    Pine 42.35%
    Camphoreous 39.15%
    Spicy 37.18%

    Scent© AI

  • Properties

    XLogP3-AA
    4.5

    Molecular weight
    250.38 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    318°C

    Flash point est.
    134.35 ˚C

  • Synonyms

    • Cedrol formate
    • Cedrenyl formate
    • Cedryl formate
    • 39900-38-4
    • EINECS 254-693-1
    • BRN 2526207
    • DTXSID00865974
    • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, formate, (3R,3aS,6R,7R,8aS)-
    • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, formate, (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-
    • [(1S,2R,5S,7R,8R)-2,6,6,8-tetramethyl-8-tricyclo[5.3.1.01,5]undecanyl] formate
    • 1H-3-alpha,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, formate, (3R-(3-alpha,3a-beta,6-alpha,7-beta,8a-alpha))-
    • 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, 6-formate, (3R,3aS,6R,7R,8aS)-
    • SCHEMBL3506539
    • AHZYNUWTBDLJHG-RHBQXOTJSA-N
    • DTXCID501473261
    • (3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-6-yl formate

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 334.05
    methanol 450.92
    isopropanol 373.69
    water 5.32
    ethyl acetate 874.0
    n-propanol 378.06
    acetone 1164.98
    n-butanol 339.7
    acetonitrile 959.59
    DMF 1311.59
    toluene 1220.56
    isobutanol 274.8
    1,4-dioxane 1459.21
    methyl acetate 777.07
    THF 3413.67
    2-butanone 821.86
    n-pentanol 107.1
    sec-butanol 195.3
    n-hexane 14.29
    ethylene glycol 91.35
    NMP 924.87
    cyclohexane 85.63
    DMSO 614.85
    n-butyl acetate 361.38
    n-octanol 71.93
    chloroform 2498.68
    n-propyl acetate 305.29
    acetic acid 358.87
    dichloromethane 2045.73
    cyclohexanone 1298.89
    propylene glycol 102.89
    isopropyl acetate 634.36
    DMAc 589.49
    2-ethoxyethanol 205.82
    isopentanol 263.02
    n-heptane 14.23
    ethyl formate 462.96
    1,2-dichloroethane 1273.39
    n-hexanol 198.4
    2-methoxyethanol 641.67
    isobutyl acetate 228.94
    tetrachloromethane 345.63
    n-pentyl acetate 220.46
    transcutol 671.93
    n-heptanol 91.46
    ethylbenzene 255.68
    MIBK 461.07
    2-propoxyethanol 475.17
    tert-butanol 354.67
    MTBE 388.1
    2-butoxyethanol 223.07
    propionic acid 358.85
    o-xylene 418.04
    formic acid 191.97
    diethyl ether 560.52
    m-xylene 658.81
    p-xylene 332.83
    chlorobenzene 1120.18
    dimethyl carbonate 450.87
    n-octane 6.01
    formamide 381.38
    cyclopentanone 2004.33
    2-pentanone 751.65
    anisole 477.94
    cyclopentyl methyl ether 1058.72
    gamma-butyrolactone 2163.09
    1-methoxy-2-propanol 585.71
    pyridine 1562.87
    3-pentanone 522.68
    furfural 1340.64
    n-dodecane 4.96
    diethylene glycol 330.62
    diisopropyl ether 177.48
    tert-amyl alcohol 173.83
    acetylacetone 943.78
    n-hexadecane 6.25
    acetophenone 394.34
    methyl propionate 689.32
    isopentyl acetate 339.3
    trichloroethylene 2305.1
    n-nonanol 68.92
    cyclohexanol 419.93
    benzyl alcohol 315.18
    2-ethylhexanol 104.99
    isooctanol 77.83
    dipropyl ether 157.31
    1,2-dichlorobenzene 768.63
    ethyl lactate 150.13
    propylene carbonate 901.51
    n-methylformamide 826.09
    2-pentanol 201.97
    n-pentane 27.93
    1-propoxy-2-propanol 295.42
    1-methoxy-2-propyl acetate 536.57
    2-(2-methoxypropoxy) propanol 183.49
    mesitylene 321.71
    ε-caprolactone 965.49
    p-cymene 118.82
    epichlorohydrin 2036.06
    1,1,1-trichloroethane 1292.8
    2-aminoethanol 174.2
    morpholine-4-carbaldehyde 906.74
    sulfolane 1305.59
    2,2,4-trimethylpentane 17.32
    2-methyltetrahydrofuran 1338.43
    n-hexyl acetate 267.08
    isooctane 18.93
    2-(2-butoxyethoxy)ethanol 236.78
    sec-butyl acetate 249.26
    tert-butyl acetate 553.29
    decalin 33.7
    glycerin 176.38
    diglyme 537.13
    acrylic acid 351.64
    isopropyl myristate 97.24
    n-butyric acid 544.09
    acetyl acetate 635.79
    di(2-ethylhexyl) phthalate 106.28
    ethyl propionate 316.6
    nitromethane 1172.64
    1,2-diethoxyethane 273.2
    benzonitrile 629.01
    trioctyl phosphate 77.16
    1-bromopropane 615.79
    gamma-valerolactone 1901.12
    n-decanol 48.74
    triethyl phosphate 121.45
    4-methyl-2-pentanol 139.44
    propionitrile 766.53
    vinylene carbonate 922.93
    1,1,2-trichlorotrifluoroethane 676.53
    DMS 394.58
    cumene 136.18
    2-octanol 60.43
    2-hexanone 238.12
    octyl acetate 116.5
    limonene 141.16
    1,2-dimethoxyethane 491.93
    ethyl orthosilicate 113.44
    tributyl phosphate 98.06
    diacetone alcohol 413.14
    N,N-dimethylaniline 241.0
    acrylonitrile 967.01
    aniline 860.25
    1,3-propanediol 308.74
    bromobenzene 1257.28
    dibromomethane 1274.72
    1,1,2,2-tetrachloroethane 1487.16
    2-methyl-cyclohexyl acetate 207.24
    tetrabutyl urea 114.74
    diisobutyl methanol 83.43
    2-phenylethanol 338.91
    styrene 334.13
    dioctyl adipate 133.42
    dimethyl sulfate 566.23
    ethyl butyrate 241.93
    methyl lactate 291.93
    butyl lactate 172.4
    diethyl carbonate 181.9
    propanediol butyl ether 159.14
    triethyl orthoformate 169.53
    p-tert-butyltoluene 120.41
    methyl 4-tert-butylbenzoate 282.0
    morpholine 1381.31
    tert-butylamine 205.73
    n-dodecanol 35.95
    dimethoxymethane 1137.59
    ethylene carbonate 817.09
    cyrene 238.11
    2-ethoxyethyl acetate 372.78
    2-ethylhexyl acetate 255.29
    1,2,4-trichlorobenzene 804.69
    4-methylpyridine 1450.06
    dibutyl ether 94.09
    2,6-dimethyl-4-heptanol 83.43
    DEF 513.15
    dimethyl isosorbide 468.7
    tetrachloroethylene 922.54
    eugenol 253.89
    triacetin 283.39
    span 80 159.7
    1,4-butanediol 70.0
    1,1-dichloroethane 1320.5
    2-methyl-1-pentanol 104.49
    methyl formate 679.87
    2-methyl-1-butanol 202.77
    n-decane 9.31
    butyronitrile 629.86
    3,7-dimethyl-1-octanol 85.65
    1-chlorooctane 62.28
    1-chlorotetradecane 23.39
    n-nonane 7.98
    undecane 6.54
    tert-butylcyclohexane 25.62
    cyclooctane 26.89
    cyclopentanol 534.22
    tetrahydropyran 1425.65
    tert-amyl methyl ether 216.47
    2,5,8-trioxanonane 297.31
    1-hexene 71.85
    2-isopropoxyethanol 160.44
    2,2,2-trifluoroethanol 275.95
    methyl butyrate 359.19

    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