(alphaS,1R,2S,3S)-2-Formyl-alpha,3-dimethylcyclopentaneacetaldehyde

Overview IFRA Request a quote

  • Identifiers

    CAS number
    550-45-8

    Molecular formula
    C10H16O2

    SMILES
    C[C@H]1CC[C@@H]([C@H]1C=O)[C@H](C)C=O

    Safety labels

  • Odor profile

    Fragrance
    Green 81.26%
    Aldehydic 50.23%
    Fresh 47.21%
    Fruity 44.81%
    Floral 40.35%
    Leafy 32.85%
    Woody 29.31%
    Herbal 28.8%
    Citrus 28.11%
    Cortex 25.22%

     

    Flavor
    Floral 31.99%
    Green 30.97%
    Spicy 27.47%
    Fresh 26.58%
    Sweet 25.4%
    Oily 25.38%
    Spice 24.1%
    Bitter 23.62%
    Minty 23.53%
    Herbal 22.85%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    6.22 (neutral)

    Molecular weight
    168.23 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    244°C

    Flash point

    • 106.03 ˚C est.

  • Synonyms

    • Iridodial
    • KZ2T7V54AZ
    • 550-45-8
    • Cyclopentaneacetaldehyde, 2-formyl-alpha,3-dimethyl-
    • Cyclopentaneacetaldehyde, 2-formyl-alpha,3-dimethyl-, (1R-(1alpha(S*),2beta,3beta))-
    • CHEBI:5964
    • RefChem:148717
    • (ALPHAS,1R,2S,3S)-2-FORMYL-ALPHA,3-DIMETHYLCYCLOPENTANEACETALDEHYDE
    • UNII-KZ2T7V54AZ
    • 2-Formyl-alpha,3-dimethylcyclopentaneacetaldehyde (1R-(1alpha(S*),2beta,3beta))-
    • Q21099584
    • CYCLOPENTANEACETALDEHYDE, 2-FORMYL-.ALPHA.,3-DIMETHYL-
    • (.ALPHA.S,1R,2S,3S)-2-FORMYL-.ALPHA.,3-DIMETHYLCYCLOPENTANEACETALDEHYDE
    • CYCLOPENTANEACETALDEHYDE, 2-FORMYL-.ALPHA.,3-DIMETHYL-, (1R-(1.ALPHA.(S*),2.BETA.,3.BETA.))-
    • 550-45-8

  • Applications

    Chemical name: (alphaS,1R,2S,3S)-2-Formyl-alpha,3-dimethylcyclopentaneacetaldehyde; CAS number: 550-45-8. Commonly used as a chiral intermediate and odorant in fragrance and flavor chemistry, it serves as a building block for the synthesis of cyclic aroma compounds; in cosmetics and personal-care formulations it may function as a fragrance component; in household products and cleaners it may appear as a scent additive; in industrial manufacturing it acts as an intermediate for the preparation of specialty chemicals and cyclic aldehyde derivatives used in polymer and materials synthesis.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 1088.42
    methanol 1468.77
    isopropanol 1025.46
    water 7.91
    ethyl acetate 907.14
    n-propanol 803.96
    acetone 1264.81
    n-butanol 613.35
    acetonitrile 1218.79
    DMF 913.68
    toluene 256.15
    isobutanol 563.1
    1,4-dioxane 1380.05
    methyl acetate 939.23
    THF 1969.06
    2-butanone 874.81
    n-pentanol 279.63
    sec-butanol 491.41
    n-hexane 15.07
    ethylene glycol 238.38
    NMP 727.94
    cyclohexane 40.03
    DMSO 1164.33
    n-butyl acetate 403.11
    n-octanol 113.09
    chloroform 1979.62
    n-propyl acetate 371.4
    acetic acid 861.71
    dichloromethane 1971.08
    cyclohexanone 965.22
    propylene glycol 272.97
    isopropyl acetate 523.46
    DMAc 402.22
    2-ethoxyethanol 528.59
    isopentanol 500.24
    n-heptane 12.0
    ethyl formate 639.24
    1,2-dichloroethane 1237.98
    n-hexanol 353.0
    2-methoxyethanol 1037.55
    isobutyl acetate 227.0
    tetrachloromethane 259.47
    n-pentyl acetate 190.97
    transcutol 1344.91
    n-heptanol 135.41
    ethylbenzene 117.73
    MIBK 401.88
    2-propoxyethanol 693.97
    tert-butanol 817.9
    MTBE 522.59
    2-butoxyethanol 301.26
    propionic acid 665.2
    o-xylene 155.57
    formic acid 415.94
    diethyl ether 580.18
    m-xylene 200.84
    p-xylene 156.24
    chlorobenzene 510.03
    dimethyl carbonate 213.27
    n-octane 7.47
    formamide 583.69
    cyclopentanone 1322.57
    2-pentanone 632.85
    anisole 304.26
    cyclopentyl methyl ether 596.14
    gamma-butyrolactone 1630.93
    1-methoxy-2-propanol 767.48
    pyridine 859.76
    3-pentanone 369.33
    furfural 983.61
    n-dodecane 7.44
    diethylene glycol 579.35
    diisopropyl ether 141.63
    tert-amyl alcohol 391.77
    acetylacetone 710.58
    n-hexadecane 8.71
    acetophenone 260.77
    methyl propionate 536.38
    isopentyl acetate 343.48
    trichloroethylene 1997.93
    n-nonanol 96.12
    cyclohexanol 429.33
    benzyl alcohol 263.09
    2-ethylhexanol 153.59
    isooctanol 114.38
    dipropyl ether 157.67
    1,2-dichlorobenzene 409.02
    ethyl lactate 163.76
    propylene carbonate 738.84
    n-methylformamide 889.04
    2-pentanol 348.47
    n-pentane 20.02
    1-propoxy-2-propanol 398.39
    1-methoxy-2-propyl acetate 430.67
    2-(2-methoxypropoxy) propanol 216.75
    mesitylene 126.25
    ε-caprolactone 801.48
    p-cymene 78.18
    epichlorohydrin 1746.66
    1,1,1-trichloroethane 1031.03
    2-aminoethanol 430.96
    morpholine-4-carbaldehyde 746.43
    sulfolane 1225.08
    2,2,4-trimethylpentane 16.48
    2-methyltetrahydrofuran 1043.81
    n-hexyl acetate 257.51
    isooctane 18.85
    2-(2-butoxyethoxy)ethanol 335.2
    sec-butyl acetate 240.6
    tert-butyl acetate 441.81
    decalin 23.11
    glycerin 334.3
    diglyme 660.82
    acrylic acid 535.87
    isopropyl myristate 88.74
    n-butyric acid 911.44
    acetyl acetate 453.21
    di(2-ethylhexyl) phthalate 95.48
    ethyl propionate 293.69
    nitromethane 1431.61
    1,2-diethoxyethane 357.2
    benzonitrile 420.98
    trioctyl phosphate 70.83
    1-bromopropane 500.53
    gamma-valerolactone 1312.11
    n-decanol 70.76
    triethyl phosphate 94.47
    4-methyl-2-pentanol 198.41
    propionitrile 759.68
    vinylene carbonate 632.56
    1,1,2-trichlorotrifluoroethane 694.62
    DMS 262.89
    cumene 81.44
    2-octanol 86.39
    2-hexanone 316.33
    octyl acetate 113.22
    limonene 103.52
    1,2-dimethoxyethane 690.38
    ethyl orthosilicate 90.85
    tributyl phosphate 90.5
    diacetone alcohol 458.37
    N,N-dimethylaniline 148.11
    acrylonitrile 914.28
    aniline 408.54
    1,3-propanediol 692.51
    bromobenzene 490.98
    dibromomethane 1119.48
    1,1,2,2-tetrachloroethane 1283.38
    2-methyl-cyclohexyl acetate 171.21
    tetrabutyl urea 98.05
    diisobutyl methanol 104.54
    2-phenylethanol 272.41
    styrene 150.02
    dioctyl adipate 125.71
    dimethyl sulfate 308.74
    ethyl butyrate 242.21
    methyl lactate 257.73
    butyl lactate 168.96
    diethyl carbonate 158.61
    propanediol butyl ether 252.44
    triethyl orthoformate 142.8
    p-tert-butyltoluene 76.87
    methyl 4-tert-butylbenzoate 206.42
    morpholine 1368.7
    tert-butylamine 396.9
    n-dodecanol 52.27
    dimethoxymethane 607.5
    ethylene carbonate 551.32
    cyrene 223.85
    2-ethoxyethyl acetate 310.27
    2-ethylhexyl acetate 219.69
    1,2,4-trichlorobenzene 451.81
    4-methylpyridine 717.01
    dibutyl ether 113.19
    2,6-dimethyl-4-heptanol 104.54
    DEF 465.92
    dimethyl isosorbide 408.13
    tetrachloroethylene 844.07
    eugenol 207.46
    triacetin 229.92
    span 80 183.54
    1,4-butanediol 211.66
    1,1-dichloroethane 1420.2
    2-methyl-1-pentanol 222.85
    methyl formate 724.02
    2-methyl-1-butanol 372.18
    n-decane 12.16
    butyronitrile 711.56
    3,7-dimethyl-1-octanol 122.27
    1-chlorooctane 75.5
    1-chlorotetradecane 27.04
    n-nonane 11.07
    undecane 9.2
    tert-butylcyclohexane 22.46
    cyclooctane 12.74
    cyclopentanol 600.62
    tetrahydropyran 1010.33
    tert-amyl methyl ether 230.91
    2,5,8-trioxanonane 340.43
    1-hexene 88.51
    2-isopropoxyethanol 350.84
    2,2,2-trifluoroethanol 383.95
    methyl butyrate 419.28

    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