Artemisyl acetate

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  • Identifiers

    CAS number
    3465-88-1

    Molecular formula
    C12H20O2

    SMILES
    CC(=CC(C(C)(C)C=C)OC(=O)C)C

    Retention indicies (RI)

    • DB5: 1173.0

  • Odor profile

    Herbal 70.49%
    Fruity 56.58%
    Citrus 50.74%
    Woody 44.89%
    Green 43.49%
    Fresh 42.76%
    Bergamot 42.06%
    Lavender 41.19%
    Floral 38.67%
    Sweet 37.95%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    pKa est.
    8.45 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderate

    Boiling point

    • 241.00 to 242.00 °C. @ 760.00 mm Hg

    Flash point est.
    93.29 ˚C

  • Synonyms

    • Artemisyl acetate
    • Artemisia alcohol acetate
    • .beta.-Artemisia acetate
    • Artemisia alcohol, acetate
    • 3,3,6-trimethylhepta-1,5-dien-4-yl acetate
    • (S)-3,3,6-Trimethylhepta-1,5-dien-4-yl acetate
    • 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, acetate, (4S)-
    • 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, acetate, (S)-
    • 1,5-Heptadien-4-ol, 3,3,6-trimethyl-, 4-acetate, (4S)-
    • Artemisia acetate
    • beta-Artemisia acetate
    • CHEBI:172059
    • Acetic ester of L-beta-artemisia alcohol
    • Q67879703

  • Applications

    Artemisyl acetate (CAS 3465-88-1) is a fragrance ester with a herbal-green, slightly camphoraceous Artemisia/wormwood nuance, used mainly in perfumery to add freshness, diffusion, and a herbal accent to fine fragrances, masculine colognes, fougère/chypre/citrus-aromatic builds, and is also suitable for soaps, shampoos, detergents, deodorizers, and home/air-care products; it is employed to construct and tune green, citrus, lavender, conifer/resin, and absinthe accords, to bridge top-to-heart notes, to mask technical base odors, and to balance surfactant off-notes; additionally, it serves as an olfactory/analytical reference standard in QC of Artemisia-related essential oils and sensory research, and occasionally as a building block in fragrance compounding, with use governed by safety guidance and regulations (e.g., IFRA) on dosage and application matrices.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 240.55
    methanol 216.89
    isopropanol 395.24
    water 1.74
    ethyl acetate 269.51
    n-propanol 294.16
    acetone 409.33
    n-butanol 313.12
    acetonitrile 212.93
    DMF 690.38
    toluene 322.92
    isobutanol 349.59
    1,4-dioxane 507.45
    methyl acetate 350.04
    THF 844.63
    2-butanone 474.09
    n-pentanol 259.26
    sec-butanol 463.84
    n-hexane 124.18
    ethylene glycol 68.88
    NMP 692.47
    cyclohexane 160.7
    DMSO 340.04
    n-butyl acetate 359.85
    n-octanol 316.27
    chloroform 1178.99
    n-propyl acetate 229.73
    acetic acid 177.75
    dichloromethane 770.84
    cyclohexanone 651.67
    propylene glycol 207.35
    isopropyl acetate 231.47
    DMAc 753.17
    2-ethoxyethanol 212.67
    isopentanol 337.49
    n-heptane 102.7
    ethyl formate 229.96
    1,2-dichloroethane 407.28
    n-hexanol 469.45
    2-methoxyethanol 333.23
    isobutyl acetate 205.59
    tetrachloromethane 194.44
    n-pentyl acetate 249.41
    transcutol 409.79
    n-heptanol 253.51
    ethylbenzene 285.51
    MIBK 276.43
    2-propoxyethanol 405.85
    tert-butanol 595.46
    MTBE 465.37
    2-butoxyethanol 258.54
    propionic acid 246.7
    o-xylene 287.18
    formic acid 52.86
    diethyl ether 223.67
    m-xylene 281.21
    p-xylene 388.01
    chlorobenzene 348.27
    dimethyl carbonate 138.28
    n-octane 59.84
    formamide 76.45
    cyclopentanone 717.68
    2-pentanone 322.6
    anisole 382.05
    cyclopentyl methyl ether 392.13
    gamma-butyrolactone 606.47
    1-methoxy-2-propanol 381.68
    pyridine 413.65
    3-pentanone 281.38
    furfural 545.32
    n-dodecane 59.7
    diethylene glycol 239.15
    diisopropyl ether 135.64
    tert-amyl alcohol 584.41
    acetylacetone 360.9
    n-hexadecane 65.47
    acetophenone 356.8
    methyl propionate 266.31
    isopentyl acetate 368.23
    trichloroethylene 861.57
    n-nonanol 270.9
    cyclohexanol 451.8
    benzyl alcohol 297.7
    2-ethylhexanol 320.01
    isooctanol 218.43
    dipropyl ether 227.52
    1,2-dichlorobenzene 353.97
    ethyl lactate 178.84
    propylene carbonate 453.87
    n-methylformamide 213.39
    2-pentanol 307.35
    n-pentane 98.4
    1-propoxy-2-propanol 377.11
    1-methoxy-2-propyl acetate 332.67
    2-(2-methoxypropoxy) propanol 339.39
    mesitylene 200.46
    ε-caprolactone 544.87
    p-cymene 224.77
    epichlorohydrin 606.35
    1,1,1-trichloroethane 647.95
    2-aminoethanol 146.29
    morpholine-4-carbaldehyde 574.06
    sulfolane 710.13
    2,2,4-trimethylpentane 89.11
    2-methyltetrahydrofuran 652.9
    n-hexyl acetate 430.96
    isooctane 66.81
    2-(2-butoxyethoxy)ethanol 318.52
    sec-butyl acetate 210.32
    tert-butyl acetate 300.73
    decalin 125.04
    glycerin 201.75
    diglyme 447.36
    acrylic acid 186.16
    isopropyl myristate 218.81
    n-butyric acid 305.29
    acetyl acetate 202.36
    di(2-ethylhexyl) phthalate 221.07
    ethyl propionate 232.02
    nitromethane 298.68
    1,2-diethoxyethane 243.67
    benzonitrile 337.96
    trioctyl phosphate 178.93
    1-bromopropane 367.24
    gamma-valerolactone 699.21
    n-decanol 217.17
    triethyl phosphate 179.3
    4-methyl-2-pentanol 232.03
    propionitrile 272.28
    vinylene carbonate 384.29
    1,1,2-trichlorotrifluoroethane 446.41
    DMS 288.99
    cumene 229.37
    2-octanol 238.03
    2-hexanone 303.14
    octyl acetate 279.17
    limonene 306.88
    1,2-dimethoxyethane 446.28
    ethyl orthosilicate 161.28
    tributyl phosphate 186.65
    diacetone alcohol 369.91
    N,N-dimethylaniline 330.97
    acrylonitrile 281.38
    aniline 295.04
    1,3-propanediol 210.14
    bromobenzene 390.7
    dibromomethane 580.98
    1,1,2,2-tetrachloroethane 832.37
    2-methyl-cyclohexyl acetate 324.93
    tetrabutyl urea 251.3
    diisobutyl methanol 196.48
    2-phenylethanol 355.63
    styrene 283.91
    dioctyl adipate 284.06
    dimethyl sulfate 250.26
    ethyl butyrate 275.59
    methyl lactate 206.19
    butyl lactate 234.36
    diethyl carbonate 206.88
    propanediol butyl ether 320.96
    triethyl orthoformate 200.88
    p-tert-butyltoluene 235.42
    methyl 4-tert-butylbenzoate 376.52
    morpholine 501.98
    tert-butylamine 417.22
    n-dodecanol 181.67
    dimethoxymethane 314.68
    ethylene carbonate 301.19
    cyrene 368.28
    2-ethoxyethyl acetate 245.69
    2-ethylhexyl acetate 305.05
    1,2,4-trichlorobenzene 444.23
    4-methylpyridine 548.55
    dibutyl ether 248.01
    2,6-dimethyl-4-heptanol 196.48
    DEF 352.59
    dimethyl isosorbide 552.9
    tetrachloroethylene 420.64
    eugenol 336.91
    triacetin 340.69
    span 80 362.62
    1,4-butanediol 118.51
    1,1-dichloroethane 587.74
    2-methyl-1-pentanol 300.88
    methyl formate 199.55
    2-methyl-1-butanol 352.71
    n-decane 82.13
    butyronitrile 303.22
    3,7-dimethyl-1-octanol 310.78
    1-chlorooctane 225.26
    1-chlorotetradecane 120.12
    n-nonane 83.46
    undecane 68.65
    tert-butylcyclohexane 127.66
    cyclooctane 72.11
    cyclopentanol 468.57
    tetrahydropyran 543.39
    tert-amyl methyl ether 383.39
    2,5,8-trioxanonane 380.43
    1-hexene 264.43
    2-isopropoxyethanol 211.65
    2,2,2-trifluoroethanol 89.66
    methyl butyrate 321.52

    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 vestita (India) Artemisia vestita Wall. ex Dc., fam. Asteraceae (Compositae) 3.0%
Annual wormwood 1 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.5%
Artemisia persica (India) Artemisia persica Boiss., fam. Asteraceae (Compositae) 1.7%
Annual wormwood (Yugoslavia) 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.15%
Artemisia judaica (Israel) 2 Artemisia judaica L. (Bat'aran), fam. Asteraceae (Compositae) 1.5%
Artemisia campestris (Italy) 1 Artemisia campestris L. ssp. borealis (Pallas), H.M. Hall et Clements 0.01%
Artemisia genipi (Italy) Artemisia genipi Weber, fam. Asteraceae (Compositae) 0.01%
Artemisia petrosa (Italy) Artemisia petrosa Baumg. ssp. eriantha Ten., fam. Asteraceae (Compositae) 0.01%
Artemisia vallesiaca (Italy) Artemisia vallesiaca All., fam. Asteraceae (Compositae) 0.01%
Wormwood (Mugwort) (Italy) 2 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 1.3%
Artemisia chamaemelifolia (Italy) Artemisia chamaemelifolia Vill., fam. Asteraceae (Compositae) 0.01%
Artemisia glacialis (Italy) Artemisia glacialis L., fam. Asteraceae (Compositae) 0.01%
Artemisia campestris (Italy) 2 Artemisia campestris L. ssp. campestris, fam. Asteraceae (Compositae) 0.01%
Artemisia alba (Italy) 84775-75-7 Artemisia alba Turra, fam. Asteraceae (Compositae) 0.3%
Artemisia abrotanum (Italy) Artemisia abrotanum L., fam. Asteraceae (Compositae) 0.01%
Annual wormwood (Italy) Artemisia annua L., fam. Asteraceae (Compositae) 0.01%
Artemisia verlotiorum (Italy) Artemisia verlotiorum Lamotte, fam. Asteraceae (Compositae) 0.01%
Armoise (Italy) 8008-93-3 Artemisia vulgaris L., fam. Asteraceae (Compositae) 0.01%
Annual wormwood (India) 2 84775-74-6 Artemisia annua L., fam. Asteraceae (Compositae) 0.2%