(2,2,4-Trimethylcyclopent-3-en-1-yl)acetaldehyde

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  • Identifiers

    CAS number
    3899-09-0

    Molecular formula
    C10H16O

    SMILES
    CC1=CC(C(C1)CC=O)(C)C

    Retention indicies (RI)

    • DB5: 1125.29
    • Carbowax: 1503.0

  • Odor profile

    Green 67.75%
    Herbal 58.02%
    Citrus 53.78%
    Woody 51.3%
    Aldehydic 48.39%
    Fresh 46.85%
    Leafy 37.39%
    Spicy 35.36%
    Floral 35.29%
    Ozone 34.32%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    203°C

    Flash point est.
    86.29 ˚C

  • Synonyms

    • DTXSID80550639
    • (2,2,4-Trimethylcyclopent-3-en-1-yl)acetaldehyde
    • 3899-09-0
    • 2-(2,2,4-trimethylcyclopent-3-en-1-yl)acetaldehyde
    • SCHEMBL9637429
    • DTXCID20501423

  • Applications

    (2,2,4-Trimethylcyclopent-3-en-1-yl)acetaldehyde (CAS 3899-09-0) is an alicyclic aldehyde with a crisp green–citrus–aldehydic character, commonly used as a fragrance ingredient to add lift and brightness to leafy/green, citrus, tea, muguet, and woody–amber accords and to mask base off-odors in fine fragrance, detergents, fabric softeners, soaps, candles, and air-care products thanks to its tenacity and substantivity; it also serves as a versatile intermediate in organic and aroma-chemical synthesis (reduction to alcohols, oxidation to acids, formation of Schiff bases/acetals for new odorant design), supports polymer surface functionalization or fragrance encapsulation, acts as an analytical reference/working standard for GC–MS odor studies and structure–odor relationship R&D, with attention to IFRA/REACH limits, allergen labeling, and storage in sealed, cool, low-oxygen conditions to minimize oxidation.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 766.59
    methanol 626.16
    isopropanol 623.99
    water 3.94
    ethyl acetate 1265.51
    n-propanol 613.95
    acetone 1081.24
    n-butanol 564.97
    acetonitrile 1019.12
    DMF 928.41
    toluene 533.53
    isobutanol 450.52
    1,4-dioxane 1581.22
    methyl acetate 978.88
    THF 2122.07
    2-butanone 957.25
    n-pentanol 251.45
    sec-butanol 424.93
    n-hexane 55.35
    ethylene glycol 162.07
    NMP 814.69
    cyclohexane 128.68
    DMSO 579.7
    n-butyl acetate 648.25
    n-octanol 213.61
    chloroform 2159.03
    n-propyl acetate 406.5
    acetic acid 514.27
    dichloromethane 1822.78
    cyclohexanone 1042.49
    propylene glycol 233.02
    isopropyl acetate 750.45
    DMAc 632.56
    2-ethoxyethanol 415.36
    isopentanol 499.99
    n-heptane 62.22
    ethyl formate 557.68
    1,2-dichloroethane 1166.52
    n-hexanol 575.27
    2-methoxyethanol 870.35
    isobutyl acetate 281.33
    tetrachloromethane 370.51
    n-pentyl acetate 310.99
    transcutol 1728.51
    n-heptanol 213.76
    ethylbenzene 234.74
    MIBK 516.8
    2-propoxyethanol 896.99
    tert-butanol 661.89
    MTBE 726.2
    2-butoxyethanol 419.14
    propionic acid 503.11
    o-xylene 292.32
    formic acid 216.44
    diethyl ether 906.53
    m-xylene 375.74
    p-xylene 281.18
    chlorobenzene 662.95
    dimethyl carbonate 407.16
    n-octane 26.02
    formamide 319.97
    cyclopentanone 1440.71
    2-pentanone 850.66
    anisole 511.1
    cyclopentyl methyl ether 912.72
    gamma-butyrolactone 1627.29
    1-methoxy-2-propanol 755.46
    pyridine 867.68
    3-pentanone 629.55
    furfural 1018.54
    n-dodecane 22.22
    diethylene glycol 566.44
    diisopropyl ether 290.8
    tert-amyl alcohol 445.38
    acetylacetone 926.42
    n-hexadecane 25.87
    acetophenone 380.1
    methyl propionate 837.92
    isopentyl acetate 561.26
    trichloroethylene 1916.87
    n-nonanol 186.14
    cyclohexanol 474.94
    benzyl alcohol 294.72
    2-ethylhexanol 280.19
    isooctanol 173.07
    dipropyl ether 382.0
    1,2-dichlorobenzene 555.72
    ethyl lactate 194.72
    propylene carbonate 802.12
    n-methylformamide 590.56
    2-pentanol 387.91
    n-pentane 81.76
    1-propoxy-2-propanol 593.37
    1-methoxy-2-propyl acetate 749.48
    2-(2-methoxypropoxy) propanol 382.66
    mesitylene 237.04
    ε-caprolactone 909.42
    p-cymene 175.47
    epichlorohydrin 1733.42
    1,1,1-trichloroethane 1226.29
    2-aminoethanol 322.69
    morpholine-4-carbaldehyde 982.08
    sulfolane 1063.4
    2,2,4-trimethylpentane 45.66
    2-methyltetrahydrofuran 1384.09
    n-hexyl acetate 502.37
    isooctane 44.14
    2-(2-butoxyethoxy)ethanol 559.04
    sec-butyl acetate 327.53
    tert-butyl acetate 695.62
    decalin 60.87
    glycerin 286.01
    diglyme 965.63
    acrylic acid 409.43
    isopropyl myristate 189.29
    n-butyric acid 745.25
    acetyl acetate 685.67
    di(2-ethylhexyl) phthalate 159.83
    ethyl propionate 443.04
    nitromethane 1064.63
    1,2-diethoxyethane 673.6
    benzonitrile 476.43
    trioctyl phosphate 118.2
    1-bromopropane 703.78
    gamma-valerolactone 1464.22
    n-decanol 138.68
    triethyl phosphate 169.27
    4-methyl-2-pentanol 264.22
    propionitrile 750.12
    vinylene carbonate 719.24
    1,1,2-trichlorotrifluoroethane 730.24
    DMS 457.59
    cumene 158.46
    2-octanol 140.23
    2-hexanone 356.77
    octyl acetate 231.59
    limonene 234.19
    1,2-dimethoxyethane 685.02
    ethyl orthosilicate 166.34
    tributyl phosphate 162.54
    diacetone alcohol 595.66
    N,N-dimethylaniline 271.0
    acrylonitrile 766.54
    aniline 523.89
    1,3-propanediol 477.78
    bromobenzene 719.55
    dibromomethane 1175.96
    1,1,2,2-tetrachloroethane 1296.09
    2-methyl-cyclohexyl acetate 305.01
    tetrabutyl urea 174.87
    diisobutyl methanol 177.65
    2-phenylethanol 433.24
    styrene 271.3
    dioctyl adipate 237.15
    dimethyl sulfate 460.98
    ethyl butyrate 430.79
    methyl lactate 324.84
    butyl lactate 243.49
    diethyl carbonate 283.98
    propanediol butyl ether 340.19
    triethyl orthoformate 266.84
    p-tert-butyltoluene 179.54
    methyl 4-tert-butylbenzoate 358.8
    morpholine 1557.13
    tert-butylamine 439.87
    n-dodecanol 104.2
    dimethoxymethane 862.87
    ethylene carbonate 638.34
    cyrene 295.43
    2-ethoxyethyl acetate 525.85
    2-ethylhexyl acetate 416.91
    1,2,4-trichlorobenzene 601.89
    4-methylpyridine 879.78
    dibutyl ether 265.03
    2,6-dimethyl-4-heptanol 177.65
    DEF 646.94
    dimethyl isosorbide 700.14
    tetrachloroethylene 810.74
    eugenol 326.25
    triacetin 409.22
    span 80 313.49
    1,4-butanediol 140.53
    1,1-dichloroethane 1360.65
    2-methyl-1-pentanol 236.37
    methyl formate 517.78
    2-methyl-1-butanol 395.72
    n-decane 36.88
    butyronitrile 744.76
    3,7-dimethyl-1-octanol 240.01
    1-chlorooctane 164.26
    1-chlorotetradecane 66.63
    n-nonane 35.23
    undecane 27.82
    tert-butylcyclohexane 60.27
    cyclooctane 50.12
    cyclopentanol 535.08
    tetrahydropyran 1406.7
    tert-amyl methyl ether 460.89
    2,5,8-trioxanonane 583.52
    1-hexene 187.48
    2-isopropoxyethanol 327.43
    2,2,2-trifluoroethanol 274.93
    methyl butyrate 469.84

    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
Sideritis granatensis Sideritis granatensis (Pau) Rivas-Goday, fam. Lamiaceae (Labiatae) 0.05%
Juniperus martinezii Juniperus martinezii Perez de la Rosa, fam. Cupressaceae 0.4%
Juniperus flaccida var. flaccida Juniperus flaccida Schlecht, var. flaccida, fam. Cupressaceae 0.9%
Juniperus flaccida var. poblana Juniperus flaccida var. poblana Martinez, fam. Cupressaceae 0.7%
Eucalyptus dealbata (Morocco) Eucalyptus dealbata A. Cunn. ex Schau, fam. Myrtaceae 0.01%
Artemisia argentea (Madeira) Artemisia argentea L'Her., fam. Asteraceae (Compositae) 0.01%
Neolitsea oblongifolia (China) Neolitsea oblongifolia Merr. et Chun., fam. Lauraceae 0.43%
Acronychia oligophlebia (China) Acronychia oligophlebia Merr., fam. Rutaceae 0.45%
Eucalyptus tereticornis (China) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.4%
Satureja wiedemanniana Satureja wiedemanniana (Lallem.) Velen, fam. Lamiaceae (Labiatae) 0.3%
Juniperus rigida (Japan) 2 Juniperus rigida Mig., fam. Cupressaceae 0.2%
Juniperus rigida (China) Juniperus rigida Mig., fam. Cupressaceae 0.2%
Juniperus rigida (Korea) Juniperus rigida Mig., fam. Cupressaceae 0.8%
Sideritis lycia (Turkey) Sideritis lycia Boiss. et Heldr., fam. Lamiaceae (Labiatae) 0.1%
Teucrium heterophyllum (Madeira) Teucrium heterophyllum L'Her. (T. canariensis), fam. Lamiaceae (Labiatae) 0.15%
Scleria striatinux rhizome (Cameroon) Scleria striatinux De Wild., fam. Cyperaceae 0.5%
Myrtle leaf (Iran) 8008-46-6 Myrtus communis L., fam. Myrtaceae 0.08%
Thymus funkii Thymus funkii Cosson, fam. Lamiaceae (Labiatae) 0.05%
Pinus sibirica (Mongolia) 1b Pinus sibirica (Rupr.) Mayr (Siberian pine), fam. Pinaceae 0.2%
Marjoram, sweet (Morocco) 8015-01-8 Majorana hortensis Moench, Origanum majorana L., fam. Lamiaceae (Labiatae) 1.54%
Teucrium haenseleri flower Teucrium haenseleri Boiss., fam. Lamiaceae (Labiatae) 3.1%
Pelargonium sidoides Pelargonium sidoides DC., fam. Geraniaceae 0.1%
Origanum husnuca-baserii (Turkey) Origanum husnucan-baserii H. Duman, Z. Aytac et A. Duran, fam. Lamiaceae 0.06%
Helichrysum stoechas (France) 8023-85-8 Helichrysum stoechas L., fam. Asteraceae (Compositae) 0.01%
Eucalyptus alba (Burkina Faso) Eucalyptus alba Muell., fam. Myrtaceae 0.2%
Eucalyptus camaldulensis (Burkina Faso) Eucalyptus camaldulensis Dehn., fam. Myrtaceae 0.2%
Mango (India) 1b cv. Bombay 90063-86-8 Mangifera indica L. cv. Bombay, fam. Anacardiaceae 0.8%
Eucalyptus botryoides (Rwanda) Eucalyptus botyroides Sm., fam. Myrtaceae 0.13%
Eucalyptus globulus (Italy) 1a hydrodistiled 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Eucalyptus globulus (Italy) 1b CO2-extract 8016-26-0 Eucalyptus globulus Labill., fam. Myrtaceae 0.1%
Rosemary (Italy) 11 Sardinia 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.15%
Nepeta fissa (Iran) Nepeta fissa C.A.Mey (N.microphylla Stapf, N.trautvetteri Boiss),Lamiaceae 1.0%
Rosemary (Portugal) 2 8000-25-7 Rosmarinus officinalis L., fam. Lamiaceae (Labiatae) 0.1%
Hypericum dogonbadanicum Hypericum dogonbadanicum Assadi, fam. Guttiferae (Hypericeae) 0.05%
Abies alba needle (Montenegro) 8021-27-0 Abies alba Mill., fam. Pinaceae 0.1%
Achillea lingulata Acillea lingulata W.K., fam. Asteraceae (Compositae) 0.2%
Nepeta glomerulosa (Iran) Nepeta glomerulosa Boiss., fam. Lamiaceae (Labiatae) 0.4%
Carrot umbel (Poland) 8015-88-1 Daucus carota L. ssp. carota, fam. Apiaceae (Umbelliferae) 0.11%
St. John's wort (Yugoslavia) 84082-80-4 Hypericum perforatum L., fam. Guttiferae (Hypericaceae) 0.1%
Thymus lotocephallus (Portugal) flower Thymus lotocephallus G. Lopez & R. Morales, fam. Lamiaceae (Labiatae) 0.2%
Nepeta argolica (Greece) 1b chemotype 2 Nepeta argolica Bory & Chaub. ssp. argolica, fam. Lamiaceae (Labiatae) 0.4%
Phlomis fruticosa (Yugoslavia) Phlomis fruticosa L., fam. Lamiaceae (Labiatae) 0.3%
Cyperus maculatus rhizome Cyperus maculatus Boeck, fam. Cyperaceae 0.3%
Plinia rubrinervis (Cuba) Plinia rubrinervis Urb., fam. Myrtaceae 5.3%
Eucalyptus resinifera (Cuba) Eucalyptus resinifera Smith, fam. Myrtaceae 0.1%
Eucalyptus tereticornis (Cuba) Eucalyptus tereticornis Smith, fam. Myrtaceae 0.01%
Corymbia maculata (Cuba) Corymbia maculata (Hook.) K.D. Hill & L.A.S. Johnson, fam. Myrtaceae 0.01%
Coespeletia moritziana leaf (Venezuela) Coespeletia moritziana (Sch. Bip. ex Wedd.) Cuatr., fam. Asteraceae 0.1%
Coespeletia spicata leaf (Venezuela) Coespeletia spicata (Sch. Bip. ex Wedd.) Cuatr., fam. Asteraceae 0.1%
Coespeletia thyrsiformis leaf (Venezuela) Coespeletia thyrsiformis (A.C. Smith) Cuatr., fam. Asteraceae 0.7%