Terpinene 4-acetate

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  • Identifiers

    CAS number
    4821-04-9

    Molecular formula
    C12H20O2

    SMILES
    CC1=CCC(CC1)(C(C)C)OC(=O)C

    Retention indicies (RI)

    • DB5: 1347.5
    • Carbowax: 1616.0

  • Odor profile

    Fragrance
    Fruity 75.71%
    Sweet 74.86%
    Herbal 72.98%
    Floral 63.2%
    Woody 62.98%
    Spicy 51.7%
    Mint 48.15%
    Fresh 42.89%
    Citrus 40.86%
    Rose 37.02%

     

    Flavor
    Sweet 66.11%
    Herbal 59.53%
    Woody 54.16%
    Fruity 53.92%
    Tropical 40.23%
    Citrus 36.63%
    Raspberry 35.94%
    Lavender 35.49%
    Minty 34.23%
    Mint 34.23%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.8

    pKa est.
    9.55 (weak base)

    Molecular weight
    196.29 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    233°C

    Flash point

    • 104.53 ˚C est.

  • Synonyms

    • Terpinene 4-acetate
    • 4-Terpinyl acetate
    • 4-TERPINENYL ACETATE
    • 4821-04-9
    • (4-methyl-1-propan-2-ylcyclohex-3-en-1-yl) acetate
    • 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate
    • 4-Terpineol acetate
    • p-Menth-1-en-4-ol, acetate
    • 1-Terpinen-4-ol acetate
    • 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate
    • 302N85584M
    • 1-TERPINEN-4-YL ACETATE
    • DTXSID90884114
    • 1-(Isopropyl)-4-methylcyclohex-3-en-1-yl acetate
    • EINECS 225-395-9
    • (4,6,6-trimethyl-3-(2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo(3.1.1)hept-1-enyl)-3-bicyclo(3.1.1)hept-1-enyl)-2-bicyclo(3.1.1)hept-4-enyl) acetate
    • [4,6,6-trimethyl-3-[2,6,6-trimethyl-3-(2,6,6-trimethyl-3-bicyclo[3.1.1]hept-1-enyl)-3-bicyclo[3.1.1]hept-1-enyl]-2-bicyclo[3.1.1]hept-4-enyl] acetate
    • Terpin-4-yl acetate
    • Terpinen-4-yl acetate
    • Terpinene-4-yl acetate
    • Terpinen-4-ol, acetate
    • SCHEMBL9951564
    • CHEBI:184320
    • DTXCID001023584
    • UNII-302N85584M
    • (+/-)-TERPINENE 4-ACETATE
    • TERPINENE 4-ACETATE, (+/-)-
    • NS00047224
    • 1-Isopropyl-4-methyl-3-cyclohexen-1-yl acetate #
    • Q27255896
    • 1-ISOPROPYL-4-METHYLCYCLOHEX-3-EN-1-YL ACETATE

  • Applications

    Chemical name: Terpinene 4-acetate; CAS 4821-04-9 is a terpene ester used as a fragrance ingredient in perfumery and cosmetics, where it provides an aroma note and often serves as a fragrance fixative in formulations for perfumes, personal care products, and scented household items. It is also used in household cleaning products to contribute fragrance, and it may function as an intermediate in the synthesis of other fragrance compounds in industrial manufacturing. Subject to local regulations and formulation limits, it may be evaluated for additional fragrance applications in other consumer products.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 710.71
    methanol 800.65
    isopropanol 793.09
    water 1.6
    ethyl acetate 472.04
    n-propanol 714.62
    acetone 525.11
    n-butanol 708.57
    acetonitrile 453.05
    DMF 897.15
    toluene 629.73
    isobutanol 630.09
    1,4-dioxane 1095.45
    methyl acetate 526.0
    THF 1190.21
    2-butanone 612.95
    n-pentanol 498.88
    sec-butanol 760.13
    n-hexane 151.31
    ethylene glycol 127.09
    NMP 697.48
    cyclohexane 225.27
    DMSO 509.24
    n-butyl acetate 409.51
    n-octanol 340.74
    chloroform 2199.88
    n-propyl acetate 270.19
    acetic acid 307.69
    dichloromethane 1383.52
    cyclohexanone 843.29
    propylene glycol 246.18
    isopropyl acetate 347.29
    DMAc 903.89
    2-ethoxyethanol 434.68
    isopentanol 638.35
    n-heptane 57.16
    ethyl formate 295.42
    1,2-dichloroethane 753.34
    n-hexanol 643.52
    2-methoxyethanol 674.13
    isobutyl acetate 234.28
    tetrachloromethane 358.42
    n-pentyl acetate 309.76
    transcutol 993.57
    n-heptanol 285.0
    ethylbenzene 331.07
    MIBK 344.9
    2-propoxyethanol 669.07
    tert-butanol 908.17
    MTBE 821.0
    2-butoxyethanol 377.33
    propionic acid 390.62
    o-xylene 390.22
    formic acid 116.17
    diethyl ether 612.44
    m-xylene 416.08
    p-xylene 425.87
    chlorobenzene 583.16
    dimethyl carbonate 175.4
    n-octane 35.13
    formamide 146.39
    cyclopentanone 732.68
    2-pentanone 469.28
    anisole 484.9
    cyclopentyl methyl ether 571.94
    gamma-butyrolactone 685.95
    1-methoxy-2-propanol 585.44
    pyridine 746.38
    3-pentanone 398.28
    furfural 635.66
    n-dodecane 31.25
    diethylene glycol 417.67
    diisopropyl ether 212.61
    tert-amyl alcohol 770.45
    acetylacetone 432.22
    n-hexadecane 36.46
    acetophenone 380.98
    methyl propionate 379.29
    isopentyl acetate 411.72
    trichloroethylene 1343.91
    n-nonanol 286.04
    cyclohexanol 661.66
    benzyl alcohol 388.9
    2-ethylhexanol 336.44
    isooctanol 236.81
    dipropyl ether 251.29
    1,2-dichlorobenzene 507.48
    ethyl lactate 169.37
    propylene carbonate 443.75
    n-methylformamide 333.12
    2-pentanol 508.05
    n-pentane 128.12
    1-propoxy-2-propanol 448.58
    1-methoxy-2-propyl acetate 391.11
    2-(2-methoxypropoxy) propanol 344.13
    mesitylene 259.72
    ε-caprolactone 742.76
    p-cymene 178.79
    epichlorohydrin 847.82
    1,1,1-trichloroethane 944.42
    2-aminoethanol 305.46
    morpholine-4-carbaldehyde 791.54
    sulfolane 688.92
    2,2,4-trimethylpentane 77.32
    2-methyltetrahydrofuran 955.56
    n-hexyl acetate 511.24
    isooctane 55.57
    2-(2-butoxyethoxy)ethanol 465.06
    sec-butyl acetate 251.39
    tert-butyl acetate 372.9
    decalin 110.9
    glycerin 251.12
    diglyme 705.32
    acrylic acid 284.24
    isopropyl myristate 187.97
    n-butyric acid 492.34
    acetyl acetate 295.17
    di(2-ethylhexyl) phthalate 192.99
    ethyl propionate 267.32
    nitromethane 411.13
    1,2-diethoxyethane 407.87
    benzonitrile 508.02
    trioctyl phosphate 140.81
    1-bromopropane 719.72
    gamma-valerolactone 880.99
    n-decanol 202.79
    triethyl phosphate 143.66
    4-methyl-2-pentanol 313.26
    propionitrile 538.28
    vinylene carbonate 443.03
    1,1,2-trichlorotrifluoroethane 553.21
    DMS 335.13
    cumene 236.08
    2-octanol 239.07
    2-hexanone 370.38
    octyl acetate 247.85
    limonene 255.81
    1,2-dimethoxyethane 709.72
    ethyl orthosilicate 147.01
    tributyl phosphate 165.0
    diacetone alcohol 396.96
    N,N-dimethylaniline 347.92
    acrylonitrile 501.07
    aniline 538.73
    1,3-propanediol 410.85
    bromobenzene 651.75
    dibromomethane 1043.87
    1,1,2,2-tetrachloroethane 1268.63
    2-methyl-cyclohexyl acetate 262.22
    tetrabutyl urea 202.52
    diisobutyl methanol 170.31
    2-phenylethanol 424.86
    styrene 368.92
    dioctyl adipate 225.55
    dimethyl sulfate 264.87
    ethyl butyrate 253.68
    methyl lactate 210.79
    butyl lactate 240.68
    diethyl carbonate 184.96
    propanediol butyl ether 404.37
    triethyl orthoformate 191.48
    p-tert-butyltoluene 182.32
    methyl 4-tert-butylbenzoate 340.66
    morpholine 1178.54
    tert-butylamine 654.71
    n-dodecanol 150.35
    dimethoxymethane 507.8
    ethylene carbonate 377.4
    cyrene 295.76
    2-ethoxyethyl acetate 368.49
    2-ethylhexyl acetate 340.81
    1,2,4-trichlorobenzene 591.65
    4-methylpyridine 909.19
    dibutyl ether 288.05
    2,6-dimethyl-4-heptanol 170.31
    DEF 497.54
    dimethyl isosorbide 479.55
    tetrachloroethylene 761.48
    eugenol 336.43
    triacetin 364.9
    span 80 338.4
    1,4-butanediol 196.43
    1,1-dichloroethane 1042.15
    2-methyl-1-pentanol 473.05
    methyl formate 242.01
    2-methyl-1-butanol 641.33
    n-decane 54.48
    butyronitrile 579.21
    3,7-dimethyl-1-octanol 313.59
    1-chlorooctane 233.82
    1-chlorotetradecane 89.54
    n-nonane 53.69
    undecane 39.8
    tert-butylcyclohexane 105.35
    cyclooctane 70.51
    cyclopentanol 616.42
    tetrahydropyran 1088.71
    tert-amyl methyl ether 570.71
    2,5,8-trioxanonane 473.04
    1-hexene 411.0
    2-isopropoxyethanol 359.78
    2,2,2-trifluoroethanol 129.36
    methyl butyrate 338.78

    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
Achillea wilhelmsii (Egypt) Achillea wilhelmsii C. Koch (A. santolina Auct. Mult.), fam. Asteraceae 0.4%
Bergamot (Italy) 3 8007-75-8 Citrus bergamia Risso et Poiteau, fam. Rutaceae 0.01%
Blackcurrant bud, absolute 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.78%
Blackcurrant bud 1 68606-81-5 Ribes nigrum L., fam. Grossulariaceae 0.16%
Cardamom seed 1 8000-66-6 Elettaria cardamomum (L.) Maton, fam. Zingiberaceae 0.1%
Cedarleaf 3 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.17%
Cypress 8013-86-3 Cupressus sempervirens L. (C. fastigiata DC), fam. Cupressaceae 1.2%
Hedeoma mandoniana Hedeoma mandoniana Wedd, fam. Lamiaceae (Labiatae) 0.2%
Mace 2 8007-12-3 Myristica fragrans Houtt., fam. Myristicaceae 0.01%
Marjoram, sweet (Egypt) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 2.7%
Marjoram, sweet (France) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 3.45%
Marjoram, sweet (Germany) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 4.3%
Marjoram, sweet (Hungary) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 2.35%
Marjoram, sweet (Portugal) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 0.4%
Marjoram, sweet (Rumania) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 3.0%
Marjoram, sweet (Tunisia) 1 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 3.5%
Minthostachys andina Minthostachys andina (Brett) Epling, fam. Lamiaceae (Labiatae) 1.44%
Nutmeg (Sri Lanka) 1 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.6%
Ageratum conyzoides flower (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.55%
Ageratum conyzoides plant 1 (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.45%
Ageratum conyzoides plant 2 (Fiji) 85480-32-6 Ageratum conyzoides L., fam. Asteraceae (Compositae) 0.6%
Cascarilla 2 8007-06-5 Croton eluteria Bennett, fam. Euphorbiaceae 0.01%
Vitex trifolia var. simplicifolia (Thailand) Vitex trifolia L. var. simplicifolia Cham., fam. Verbenaceae 0.14%
Pistacia lentiscus (Spain) 1a leaf 90082-83-0 Pistacia lentiscus L., fam. Anacardiaceae 0.03%
Egletes viscosa (flower heads) Egletes viscosa Less., fam. Asteraceae (Compositae) 1.1%
Pepper, black 3 8006-82-4 Piper nigrum L., fam. Piperaceae 0.01%
Juniper leaf (France) 8012-91-7 Juniperus communis L., fam. Cupressaceae 0.01%
Cedarleaf (Japan) 8000-27-9 Thuja occidentalis L., fam. Taxodiaceae 0.17%
Hyptis suaveolens Hyptis suaveolens (L.) Poit., fam. Lamiaceae (Labiatae) 0.13%
Clausena dunniana (China) 2 Clausena dunniana Levl., fam. Rutaceae 0.86%
Rosemary (Egypt) 1 8000-27-5 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.89%
Rosemary (Egypt) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 2.77%
Artemisia afra Willd. (Kenia) Artemisia afra Willd., fam. Asteraceae (Compositae) 0.01%
Curcuma pierreana (Vietnam), 1a rhizome Curcuma pierreana Gagnep., fam. Zingiberaceae 0.4%
Curcuma pierreana (Vietnam), 1b stem Curcuma pierreana Gagnep., fam. Zingiberaceae 4.4%
Curcuma pierreana (Vietnam), 1c leaf Curcuma pierreana Gagnep., fam. Zingiberaceae 1.7%
Pepper, black (India) 2 8006-82-4 Piper nigrum L., fam. Piperaceae 0.2%
Pepper, green (India) 8006-82-4 Piper nigrum L., fam. Piperaceae 0.4%
Persea podadenia leaf Persea podadenia Blake, subgenus Eriodaphne, fam. Lauraceae 0.78%
Thymus pulegioides (Italy) Thymus pulegioides L., fam. Lamiaceae (Labiatae) 0.4%
Oregano, mexican (U.S.A.) 2 Lippia graveolens HBK., fam. Verbenaceae 1.75%
Vitex agnus-castus leaf (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.1%
Vitex agnus-castus fruit (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.2%
Vitex agnus-castus inflorescence (Italy) Vitex agnus-castus L., fam. Verbenaceae 0.3%
Uromyrtus metrosideros (Australia) Uromyrtus metrosideros (F.M. Bailey) A.J. Scott, fam. Myrtaceae 0.32%
Boronia megastigma 91771-36-7 Boronia megastigma Nees., fam. Rutaceae 0.01%
Keora (India) 3 Pandanus odoratissimus L. (P. fascicularis Lam.), fam. Pandanaceae 0.8%
Nutmeg (India) 5a leaf 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 1.55%
Nutmeg (India) 5b flower 8008-45-5 Myristica fragrans Houtt., fam. Myristicaceae 0.46%
Ocimum gratissimum (Brazil) 2 Ocimum gratissimum L., fam. Lamiaceae (Labiatae) 0.01%