beta-Cyclocitral

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  • Identifiers

    CAS number
    52844-21-0

    Molecular formula
    C10H16O

    SMILES
    CC1=C(C(CCC1)(C)C)C=O

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fruity 75.77%
    Floral 74.09%
    Herbal 73.52%
    Sweet 71.79%
    Woody 65.19%
    Mint 59.31%
    Green 55.61%
    Rose 51.83%
    Tobacco 50.93%
    Spicy 47.99%

    Scent© AI

  • Properties

    XLogP3-AA
    2.4

    Molecular weight
    152.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 62.00 to 63.00 °C. @ 3.00 mm Hg

    Flash point est.
    88.14 ˚C

  • Synonyms

    • beta-Cyclocitral
    • 432-25-7
    • b-cyclocitral
    • 2,6,6-Trimethylcyclohexene-1-carbaldehyde
    • 2,6,6-trimethylcyclohex-1-ene-1-carbaldehyde
    • 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-
    • .beta.-Cyclocitral
    • 2,6,6-TRIMETHYL-1-CYCLOHEXENE-1-CARBOXALDEHYDE
    • 1-Formyl-2,6,6-trimethyl-1-cyclohexene
    • CYCLOCITRAL
    • alpha(beta)-Cyclocitral
    • 2,6,6-Trimethylcyclohexenecarbaldehyde
    • beta -cyclocitral
    • MFCD00079078
    • DTXSID7047142
    • CHEBI:53177
    • 2,6,6-trimethylcyclohex-1-enecarbaldehyde
    • 77Y0U2X29G
    • Cyclohexenecarboxaldehyde, 2,6,6-trimethyl-
    • EINECS 207-081-3
    • 2,6,6-Trimethyl-1-cyclohexen-1-carboxaldehyde
    • 52844-21-0
    • CYCLOCITRAL, .BETA.-
    • AI3-37227
    • 2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde
    • DTXCID5027142
    • 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde
    • FEMA NO. 3639, .BETA.-
    • 2,6,6-trimethyl-cyclohexene-1-carboxaldehyde
    • b-Cyclocitral, Technical Grade
    • ss-Cyclocitral
    • UNII-77Y0U2X29G
    • beta cyclocitral
    • beta-cyclocitrol
    • ?-Cyclocitral-d5
    • beta-Cyclocitral, Technical Grade
    • 1-Cyclohexene-1-carboxaldehyde, 2,6,6-trimethyl-; 2,6,6-Trimethyl-1-cyclohexene-1-carboxaldehyde; 1-Formyl-2,6,6-trimethyl-1-cyclohexene; 2,6,6-Trimethyl-1-cyclohexenecarboxaldehyde; ss-Cyclocitral
    • CYCLOCITRAL, BETA-
    • UNII-GLL5338RMI
    • beta-Cyclocitral, >=95%
    • GLL5338RMI
    • SCHEMBL309759
    • CHEMBL1952257
    • ?-Cyclocitral, Technical Grade
    • MSK2939
    • DDA99598
    • EINECS 258-219-4
    • FEMA NO. 3639, BETA-
    • Tox21_302524
    • beta-Cyclocitral, analytical standard
    • AKOS022504751
    • CS-W010947
    • HY-W010231
    • NCGC00256741-01
    • AS-56746
    • CAS-432-25-7
    • DA-59357
    • SY029933
    • 2,6,6-Trimethyl-1-cyclohexenecarbaldehyde
    • 2,6,6-Trimethyl-Cyclohexenecarboxaldehyde
    • 2,6,6-trimethyl-cyclohexene-1-carbaldehyde
    • DB-302496
    • NS00013267
    • C20425
    • EN300-180215
    • F14917
    • 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde #
    • Q27124011
    • Z1255386953
    • Pentadeuterio-beta-cyclocitral;1-Formyl-2,6,6-trimethyl-1-cyclohexene

  • Applications

    beta-Cyclocitral (CAS 52844-21-0) is a terpene aldehyde with a fresh citrus, slightly green, fruity-floral odor, widely used in perfumes and aromas to lift orange, mandarin and grapefruit top notes and to add crisp, clean modern freshness to fine fragrances, body sprays, soaps, household cleaners, deodorizers and candles; in flavor creation it is applied at trace to low levels to tune citrus profiles in soft drinks, alcoholic beverages, confectionery, dairy and baked goods, rounding harsh notes and masking sulfur off-notes while enhancing authenticity; within flavor–fragrance technology it also serves as a versatile synthetic building block and headspace modulator in encapsulation or delivery systems to improve stability, release and freshness perception; in agriculture and plant biology it is a carotenoid-derived signaling molecule being studied as a root growth and stress-response modulator, suggesting potential uses in seed treatment, nurseries and root system optimization; in environmental and water quality monitoring, trace beta-cyclocitral is tracked as an odorant associated with cyanobacterial activity, aiding bloom surveillance, and in sensory science it functions as a reference odorant for citrus–green tonalities; overall, it is a practical tool for perfumers, consumer product engineers, food technologists and crop scientists seeking to boost freshness, naturality and sensory performance across diverse formulations.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 777.4
    methanol 979.67
    isopropanol 527.0
    water 1.43
    ethyl acetate 994.79
    n-propanol 688.26
    acetone 905.76
    n-butanol 558.59
    acetonitrile 1499.82
    DMF 733.86
    toluene 646.58
    isobutanol 387.55
    1,4-dioxane 2115.3
    methyl acetate 929.17
    THF 2397.34
    2-butanone 856.21
    n-pentanol 288.38
    sec-butanol 389.6
    n-hexane 126.81
    ethylene glycol 83.84
    NMP 834.7
    cyclohexane 287.54
    DMSO 472.39
    n-butyl acetate 700.88
    n-octanol 177.08
    chloroform 2137.15
    n-propyl acetate 404.67
    acetic acid 595.07
    dichloromethane 1846.24
    cyclohexanone 1383.32
    propylene glycol 93.11
    isopropyl acetate 481.94
    DMAc 319.97
    2-ethoxyethanol 341.8
    isopentanol 386.63
    n-heptane 100.66
    ethyl formate 535.79
    1,2-dichloroethane 1243.63
    n-hexanol 604.1
    2-methoxyethanol 709.9
    isobutyl acetate 233.9
    tetrachloromethane 432.02
    n-pentyl acetate 302.73
    transcutol 1297.6
    n-heptanol 204.64
    ethylbenzene 252.41
    MIBK 364.9
    2-propoxyethanol 776.1
    tert-butanol 527.66
    MTBE 595.32
    2-butoxyethanol 315.51
    propionic acid 521.25
    o-xylene 291.43
    formic acid 238.18
    diethyl ether 1141.57
    m-xylene 382.69
    p-xylene 300.97
    chlorobenzene 789.02
    dimethyl carbonate 224.84
    n-octane 35.21
    formamide 341.89
    cyclopentanone 1454.64
    2-pentanone 698.47
    anisole 405.64
    cyclopentyl methyl ether 1069.2
    gamma-butyrolactone 1664.93
    1-methoxy-2-propanol 493.88
    pyridine 1253.88
    3-pentanone 538.4
    furfural 964.23
    n-dodecane 20.79
    diethylene glycol 411.02
    diisopropyl ether 274.15
    tert-amyl alcohol 327.04
    acetylacetone 567.08
    n-hexadecane 24.97
    acetophenone 295.21
    methyl propionate 622.81
    isopentyl acetate 536.54
    trichloroethylene 1939.91
    n-nonanol 151.58
    cyclohexanol 602.6
    benzyl alcohol 265.96
    2-ethylhexanol 291.88
    isooctanol 154.95
    dipropyl ether 438.1
    1,2-dichlorobenzene 556.8
    ethyl lactate 135.06
    propylene carbonate 702.53
    n-methylformamide 674.34
    2-pentanol 338.59
    n-pentane 137.44
    1-propoxy-2-propanol 489.0
    1-methoxy-2-propyl acetate 560.63
    2-(2-methoxypropoxy) propanol 258.13
    mesitylene 239.36
    ε-caprolactone 1032.4
    p-cymene 152.92
    epichlorohydrin 1610.24
    1,1,1-trichloroethane 1267.23
    2-aminoethanol 213.5
    morpholine-4-carbaldehyde 865.32
    sulfolane 1032.32
    2,2,4-trimethylpentane 45.78
    2-methyltetrahydrofuran 1666.4
    n-hexyl acetate 422.74
    isooctane 50.79
    2-(2-butoxyethoxy)ethanol 382.07
    sec-butyl acetate 270.15
    tert-butyl acetate 457.23
    decalin 86.21
    glycerin 133.35
    diglyme 706.93
    acrylic acid 405.42
    isopropyl myristate 144.82
    n-butyric acid 689.17
    acetyl acetate 471.58
    di(2-ethylhexyl) phthalate 117.27
    ethyl propionate 367.75
    nitromethane 1123.33
    1,2-diethoxyethane 642.15
    benzonitrile 546.86
    trioctyl phosphate 90.95
    1-bromopropane 857.28
    gamma-valerolactone 1482.09
    n-decanol 110.02
    triethyl phosphate 139.2
    4-methyl-2-pentanol 184.43
    propionitrile 1068.69
    vinylene carbonate 649.96
    1,1,2-trichlorotrifluoroethane 548.4
    DMS 341.87
    cumene 147.75
    2-octanol 129.41
    2-hexanone 402.53
    octyl acetate 180.27
    limonene 238.3
    1,2-dimethoxyethane 728.04
    ethyl orthosilicate 142.88
    tributyl phosphate 127.25
    diacetone alcohol 383.3
    N,N-dimethylaniline 204.75
    acrylonitrile 1083.68
    aniline 577.47
    1,3-propanediol 349.21
    bromobenzene 834.38
    dibromomethane 1282.01
    1,1,2,2-tetrachloroethane 1255.28
    2-methyl-cyclohexyl acetate 266.47
    tetrabutyl urea 140.34
    diisobutyl methanol 160.9
    2-phenylethanol 395.69
    styrene 308.02
    dioctyl adipate 175.31
    dimethyl sulfate 253.56
    ethyl butyrate 390.47
    methyl lactate 183.4
    butyl lactate 182.67
    diethyl carbonate 244.34
    propanediol butyl ether 199.42
    triethyl orthoformate 256.13
    p-tert-butyltoluene 154.65
    methyl 4-tert-butylbenzoate 248.72
    morpholine 2039.92
    tert-butylamine 384.7
    n-dodecanol 83.28
    dimethoxymethane 679.69
    ethylene carbonate 592.85
    cyrene 205.74
    2-ethoxyethyl acetate 412.31
    2-ethylhexyl acetate 427.0
    1,2,4-trichlorobenzene 593.61
    4-methylpyridine 1093.48
    dibutyl ether 282.21
    2,6-dimethyl-4-heptanol 160.9
    DEF 565.08
    dimethyl isosorbide 503.78
    tetrachloroethylene 904.1
    eugenol 231.54
    triacetin 258.92
    span 80 223.33
    1,4-butanediol 94.22
    1,1-dichloroethane 1330.96
    2-methyl-1-pentanol 216.49
    methyl formate 521.73
    2-methyl-1-butanol 348.46
    n-decane 39.09
    butyronitrile 987.48
    3,7-dimethyl-1-octanol 174.85
    1-chlorooctane 168.46
    1-chlorotetradecane 56.94
    n-nonane 40.66
    undecane 27.81
    tert-butylcyclohexane 71.66
    cyclooctane 87.23
    cyclopentanol 605.33
    tetrahydropyran 2159.8
    tert-amyl methyl ether 365.17
    2,5,8-trioxanonane 404.13
    1-hexene 350.68
    2-isopropoxyethanol 238.72
    2,2,2-trifluoroethanol 205.0
    methyl butyrate 449.14

    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
Pelargonium reniforme Pelargonium reniforme Curt., fam. Geraniaceae 0.2%
Bay, West Indian (Guadeloupe) 2a 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.16%
Bay, West Indian (Guadeloupe) 2b 8015-73-4 Pimenta racemosa var. racemosa (P. Miller) J.W. Moore, fam. Myrtaceae 0.07%