Guaiyl acetate

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  • Identifiers

    CAS number
    134-28-1

    Molecular formula
    C17H28O2

    SMILES
    C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)OC(=O)C

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1724.0

  • Odor profile

    Woody 85.42%
    Floral 65.64%
    Sweet 57.8%
    Balsamic 49.2%
    Spicy 46.85%
    Green 46.22%
    Dry 42.06%
    Amber 39.64%
    Powdery 39.41%
    Fresh 38.39%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    264.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    320°C

    Flash point est.
    110.01 ˚C

  • Synonyms

    • Guaiol acetate
    • Guaiac acetate
    • Guaiyl acetate
    • Guaiac wood acetate
    • Guaiol, acetate
    • Octahydroazulene acetate
    • Guai-1(5)-en-11-ol, acetate
    • Guai-1-en-11-ol acetate
    • 134-28-1
    • 4J2P61VYV9
    • EINECS 205-135-0
    • NSC 46160
    • NSC-46160
    • GUAIYL ACETATE [FHFI]
    • DTXSID7051684
    • NSC46160
    • 1,4-Dimethyl-7-(alpha-hydroxyisopropyl)-delta9,10-octahydroazule
    • 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, acetate, (3S,5R,8S)-
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha-3,8-tetramethyl-, acetate, (3S-(3alpha,5alpha,8alpha))-
    • 5-Azulenemethanol, 1,2,3,4,5alpha,6,7,8-octahydro-alpha,alpha,3beta,8beta-tetramethyl-, acetate
    • GUAI-1(5)-EN-11-OL:ACETATE
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, 5-acetate, (3S,5R,8S)-
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, 5-acetate, (3S,5R,8S)-
    • 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-alpha,alpha,3,8-tetramethyl-, acetate, (3S,5R,8S)-
    • 5-Azulenemethanol, 1,2,3,4,5.alpha.,6,7,8-octahydro-.alpha.,.alpha.,3.beta.,8.beta.-tetramethyl-, acetate
    • UNII-4J2P61VYV9
    • 2-((3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl)propan-2-yl acetate
    • SCHEMBL1666524
    • CHEBI:173881
    • DRFSOBZVMGLICQ-SGMGOOAPSA-N
    • DTXCID601768734
    • NS00012942
    • Q27259699
    • 5-Azulenemethanol, 1,2,3,4,5alpha,6,7,8-octahydro-alpha,alpha,3beta,8beta-tetramethyl-, acetate (8CI)
    • 5-Azulenemethanol,2,3,4,5,6,7,8-octahydro-.alpha.,.alpha.,3,8-tetramethyl-, acetate, [3S-(3.alpha.,5.alpha.,8.alpha.)]-
    • 5-Azulenemethanol,2,3,4,5.alpha.,6,7,8-octahydro-.alpha.,.alpha.,3.beta.,8.beta.-tetramethyl-, acetate

  • Applications

    Guaiyl acetate (CAS 134-28-1) is a perfumery ingredient with warm woody, balsamic, slightly smoky facets, used as a base-note modifier and fixative in woody, chypre, fougère, oriental, leather/tobacco themes and in oud reconstructions; it blends well with sandalwood, cedarwood, patchouli, vetiver, labdanum and amber to add depth, smooth rough edges and extend the drydown. Owing to its high boiling point and low volatility, it performs in both fine fragrance and functional products such as soaps, body washes, shampoos, detergents, fabric softeners, candles and air care; typical use levels range from trace to a few percent depending on the application and desired impact. In formula development it boosts a clean “dry wood” impression, reinforces cedar/sandal accords, rounds resinous compositions and helps mask technical base-odor in household products. For commercial deployment, follow IFRA/local regulations, verify stability in higher-pH bases and test compatibility with surfactants, resins and colorants.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1416.97
    methanol 1778.32
    isopropanol 1492.33
    water 1.9
    ethyl acetate 1440.25
    n-propanol 1345.25
    acetone 1578.99
    n-butanol 1124.15
    acetonitrile 1405.41
    DMF 1820.34
    toluene 1724.4
    isobutanol 1095.52
    1,4-dioxane 3496.05
    methyl acetate 1289.02
    THF 3908.83
    2-butanone 1430.01
    n-pentanol 648.5
    sec-butanol 1037.87
    n-hexane 117.5
    ethylene glycol 127.88
    NMP 1447.14
    cyclohexane 414.28
    DMSO 854.95
    n-butyl acetate 1020.8
    n-octanol 389.34
    chloroform 5349.01
    n-propyl acetate 809.92
    acetic acid 675.41
    dichloromethane 3806.9
    cyclohexanone 2269.67
    propylene glycol 276.42
    isopropyl acetate 1049.15
    DMAc 1406.01
    2-ethoxyethanol 690.09
    isopentanol 981.82
    n-heptane 73.92
    ethyl formate 781.35
    1,2-dichloroethane 1897.7
    n-hexanol 933.22
    2-methoxyethanol 1175.43
    isobutyl acetate 650.81
    tetrachloromethane 667.76
    n-pentyl acetate 739.75
    transcutol 2210.43
    n-heptanol 384.57
    ethylbenzene 623.17
    MIBK 757.73
    2-propoxyethanol 1249.09
    tert-butanol 1371.89
    MTBE 1562.13
    2-butoxyethanol 634.66
    propionic acid 726.97
    o-xylene 789.17
    formic acid 198.54
    diethyl ether 1427.08
    m-xylene 907.58
    p-xylene 898.95
    chlorobenzene 1660.69
    dimethyl carbonate 460.28
    n-octane 40.48
    formamide 331.56
    cyclopentanone 2088.63
    2-pentanone 1086.32
    anisole 1051.78
    cyclopentyl methyl ether 1496.3
    gamma-butyrolactone 2056.83
    1-methoxy-2-propanol 1072.39
    pyridine 2462.67
    3-pentanone 880.09
    furfural 1537.99
    n-dodecane 36.3
    diethylene glycol 690.18
    diisopropyl ether 432.65
    tert-amyl alcohol 895.95
    acetylacetone 1167.26
    n-hexadecane 43.9
    acetophenone 826.95
    methyl propionate 969.42
    isopentyl acetate 975.06
    trichloroethylene 3446.81
    n-nonanol 342.56
    cyclohexanol 1268.38
    benzyl alcohol 832.92
    2-ethylhexanol 470.17
    isooctanol 337.26
    dipropyl ether 505.02
    1,2-dichlorobenzene 1174.41
    ethyl lactate 286.66
    propylene carbonate 1172.16
    n-methylformamide 818.19
    2-pentanol 713.28
    n-pentane 134.82
    1-propoxy-2-propanol 839.61
    1-methoxy-2-propyl acetate 964.86
    2-(2-methoxypropoxy) propanol 564.92
    mesitylene 516.16
    ε-caprolactone 1821.52
    p-cymene 302.82
    epichlorohydrin 2418.55
    1,1,1-trichloroethane 2203.07
    2-aminoethanol 393.96
    morpholine-4-carbaldehyde 1878.62
    sulfolane 1484.11
    2,2,4-trimethylpentane 82.04
    2-methyltetrahydrofuran 2623.0
    n-hexyl acetate 954.98
    isooctane 65.16
    2-(2-butoxyethoxy)ethanol 777.16
    sec-butyl acetate 620.68
    tert-butyl acetate 942.31
    decalin 145.87
    glycerin 308.18
    diglyme 1454.97
    acrylic acid 511.53
    isopropyl myristate 329.97
    n-butyric acid 1145.23
    acetyl acetate 942.62
    di(2-ethylhexyl) phthalate 326.95
    ethyl propionate 658.93
    nitromethane 1238.58
    1,2-diethoxyethane 1021.35
    benzonitrile 1290.77
    trioctyl phosphate 228.39
    1-bromopropane 1386.8
    gamma-valerolactone 2575.61
    n-decanol 236.34
    triethyl phosphate 267.06
    4-methyl-2-pentanol 441.77
    propionitrile 1365.54
    vinylene carbonate 1211.8
    1,1,2-trichlorotrifluoroethane 1073.77
    DMS 745.78
    cumene 372.95
    2-octanol 321.97
    2-hexanone 748.1
    octyl acetate 421.78
    limonene 431.8
    1,2-dimethoxyethane 1492.6
    ethyl orthosilicate 271.3
    tributyl phosphate 282.65
    diacetone alcohol 756.8
    N,N-dimethylaniline 595.23
    acrylonitrile 1271.01
    aniline 1402.9
    1,3-propanediol 643.07
    bromobenzene 1878.35
    dibromomethane 2411.52
    1,1,2,2-tetrachloroethane 2737.6
    2-methyl-cyclohexyl acetate 530.97
    tetrabutyl urea 342.54
    diisobutyl methanol 246.18
    2-phenylethanol 851.18
    styrene 820.56
    dioctyl adipate 424.16
    dimethyl sulfate 566.45
    ethyl butyrate 601.64
    methyl lactate 378.65
    butyl lactate 467.51
    diethyl carbonate 405.32
    propanediol butyl ether 569.87
    triethyl orthoformate 416.92
    p-tert-butyltoluene 307.9
    methyl 4-tert-butylbenzoate 617.77
    morpholine 3530.59
    tert-butylamine 893.15
    n-dodecanol 174.62
    dimethoxymethane 1338.51
    ethylene carbonate 1141.36
    cyrene 523.63
    2-ethoxyethyl acetate 944.96
    2-ethylhexyl acetate 767.42
    1,2,4-trichlorobenzene 1346.35
    4-methylpyridine 2602.23
    dibutyl ether 506.41
    2,6-dimethyl-4-heptanol 246.18
    DEF 1083.45
    dimethyl isosorbide 1010.62
    tetrachloroethylene 1639.82
    eugenol 577.13
    triacetin 741.69
    span 80 548.3
    1,4-butanediol 246.71
    1,1-dichloroethane 2412.2
    2-methyl-1-pentanol 641.22
    methyl formate 608.67
    2-methyl-1-butanol 880.26
    n-decane 64.21
    butyronitrile 1337.67
    3,7-dimethyl-1-octanol 399.26
    1-chlorooctane 303.52
    1-chlorotetradecane 119.14
    n-nonane 61.49
    undecane 46.13
    tert-butylcyclohexane 122.78
    cyclooctane 104.15
    cyclopentanol 1214.39
    tetrahydropyran 3569.43
    tert-amyl methyl ether 836.84
    2,5,8-trioxanonane 924.54
    1-hexene 475.04
    2-isopropoxyethanol 580.8
    2,2,2-trifluoroethanol 280.33
    methyl butyrate 857.15

    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
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 0.03%