(s)-2-Phenylpropanal

Overview IFRA Request a quote

  • Identifiers

    CAS number
    33530-47-1

    Molecular formula
    C9H10O

    SMILES
    C[C@H](C=O)C1=CC=CC=C1

  • Odor profile

    Fragrance
    Green 87.97%
    Floral 86.0%
    Fresh 66.14%
    Hyacinth 57.68%
    Sweet 56.89%
    Aldehydic 49.47%
    Cortex 46.25%
    Leafy 46.13%
    Melon 43.48%
    Honey 43.4%

     

    Flavor
    Green 90.53%
    Floral 78.27%
    Fresh 62.05%
    Hyacinth 59.04%
    Leaf 49.03%
    Bitter 38.85%
    Lilac 37.19%
    Honey 34.48%
    Rose 34.08%
    Sharp 33.81%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    6.01 (neutral)

    Molecular weight
    134.17 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    206°C

    Flash point

    • 86.73 ˚C est.

  • Synonyms

    • (s)-2-phenylpropanal
    • 33530-47-1
    • (2S)-2-PHENYLPROPANAL
    • (S)-(+)-2-Phenylpropanal
    • SCHEMBL111850
    • IQVAERDLDAZARL-MRVPVSSYSA-N
    • AC1167
    • AKOS027256934
    • CS-12042
    • DB-215227
    • CS-0436728

  • Applications

    For (s)-2-Phenylpropanal (CAS 33530-47-1), this chiral aldehyde is commonly used as a building block and intermediate in the synthesis of pharmaceuticals and specialty chemicals, where its S configuration enables enantioselective transformations. It is frequently employed as a precursor for the preparation of chiral amines, alcohols, and other building blocks via reductions or reductive amination. In fragrance and flavor applications, it can serve as an aroma intermediate or odorant component contributing to aldehydic notes in perfumery and related personal care formulations. It may also be explored in cosmetics and personal care contexts as a fragrance ingredient or chiral precursor in formulation development. Additionally, it is used in research and development as a synthetic building block for agrochemicals and other biologically active molecules, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2063.9
    methanol 1589.03
    isopropanol 1425.74
    water 4.42
    ethyl acetate 3570.58
    n-propanol 1637.92
    acetone 4202.47
    n-butanol 1158.06
    acetonitrile 5211.56
    DMF 3211.9
    toluene 768.94
    isobutanol 1060.64
    1,4-dioxane 3840.1
    methyl acetate 3458.83
    THF 2958.31
    2-butanone 3114.5
    n-pentanol 702.96
    sec-butanol 1005.77
    n-hexane 144.61
    ethylene glycol 312.1
    NMP 2220.14
    cyclohexane 180.7
    DMSO 3726.21
    n-butyl acetate 1385.45
    n-octanol 306.96
    chloroform 5333.73
    n-propyl acetate 1501.77
    acetic acid 1479.52
    dichloromethane 6944.54
    cyclohexanone 2970.15
    propylene glycol 336.12
    isopropyl acetate 1210.74
    DMAc 1371.1
    2-ethoxyethanol 1050.52
    isopentanol 820.25
    n-heptane 95.06
    ethyl formate 1801.49
    1,2-dichloroethane 5021.92
    n-hexanol 794.03
    2-methoxyethanol 1734.49
    isobutyl acetate 678.23
    tetrachloromethane 695.25
    n-pentyl acetate 543.52
    transcutol 3403.11
    n-heptanol 297.5
    ethylbenzene 408.7
    MIBK 848.47
    2-propoxyethanol 1204.16
    tert-butanol 1283.21
    MTBE 1365.49
    2-butoxyethanol 563.73
    propionic acid 1686.18
    o-xylene 365.61
    formic acid 396.37
    diethyl ether 2282.69
    m-xylene 411.33
    p-xylene 431.8
    chlorobenzene 1354.83
    dimethyl carbonate 771.82
    n-octane 45.01
    formamide 1075.36
    cyclopentanone 3441.56
    2-pentanone 2045.96
    anisole 1004.38
    cyclopentyl methyl ether 1451.88
    gamma-butyrolactone 4016.55
    1-methoxy-2-propanol 1184.29
    pyridine 2728.13
    3-pentanone 1597.52
    furfural 2202.89
    n-dodecane 35.07
    diethylene glycol 754.29
    diisopropyl ether 396.83
    tert-amyl alcohol 822.06
    acetylacetone 1774.59
    n-hexadecane 40.86
    acetophenone 757.98
    methyl propionate 2246.33
    isopentyl acetate 907.08
    trichloroethylene 6876.87
    n-nonanol 253.19
    cyclohexanol 843.66
    benzyl alcohol 560.08
    2-ethylhexanol 392.58
    isooctanol 241.56
    dipropyl ether 726.21
    1,2-dichlorobenzene 1043.0
    ethyl lactate 370.69
    propylene carbonate 1755.96
    n-methylformamide 2389.1
    2-pentanol 738.63
    n-pentane 124.91
    1-propoxy-2-propanol 795.12
    1-methoxy-2-propyl acetate 922.68
    2-(2-methoxypropoxy) propanol 468.8
    mesitylene 239.78
    ε-caprolactone 2231.4
    p-cymene 177.54
    epichlorohydrin 4846.91
    1,1,1-trichloroethane 3278.84
    2-aminoethanol 642.27
    morpholine-4-carbaldehyde 1965.67
    sulfolane 3343.7
    2,2,4-trimethylpentane 53.98
    2-methyltetrahydrofuran 2519.97
    n-hexyl acetate 760.13
    isooctane 53.64
    2-(2-butoxyethoxy)ethanol 727.72
    sec-butyl acetate 756.74
    tert-butyl acetate 940.35
    decalin 97.56
    glycerin 389.38
    diglyme 1620.54
    acrylic acid 1253.28
    isopropyl myristate 254.2
    n-butyric acid 2004.26
    acetyl acetate 1199.08
    di(2-ethylhexyl) phthalate 186.67
    ethyl propionate 1199.64
    nitromethane 4471.11
    1,2-diethoxyethane 1284.54
    benzonitrile 1066.91
    trioctyl phosphate 151.14
    1-bromopropane 2242.76
    gamma-valerolactone 3260.8
    n-decanol 191.82
    triethyl phosphate 258.57
    4-methyl-2-pentanol 326.19
    propionitrile 2624.48
    vinylene carbonate 1579.57
    1,1,2-trichlorotrifluoroethane 1435.82
    DMS 715.27
    cumene 222.59
    2-octanol 206.88
    2-hexanone 1264.46
    octyl acetate 325.22
    limonene 270.65
    1,2-dimethoxyethane 1881.42
    ethyl orthosilicate 246.27
    tributyl phosphate 205.62
    diacetone alcohol 865.06
    N,N-dimethylaniline 433.69
    acrylonitrile 3070.36
    aniline 920.03
    1,3-propanediol 977.58
    bromobenzene 1442.58
    dibromomethane 3945.19
    1,1,2,2-tetrachloroethane 4261.07
    2-methyl-cyclohexyl acetate 436.39
    tetrabutyl urea 249.73
    diisobutyl methanol 231.62
    2-phenylethanol 530.64
    styrene 614.24
    dioctyl adipate 340.22
    dimethyl sulfate 963.36
    ethyl butyrate 919.77
    methyl lactate 524.3
    butyl lactate 352.97
    diethyl carbonate 550.07
    propanediol butyl ether 452.33
    triethyl orthoformate 431.09
    p-tert-butyltoluene 164.62
    methyl 4-tert-butylbenzoate 427.86
    morpholine 3652.98
    tert-butylamine 702.61
    n-dodecanol 146.15
    dimethoxymethane 1770.94
    ethylene carbonate 1388.46
    cyrene 420.21
    2-ethoxyethyl acetate 799.4
    2-ethylhexyl acetate 654.96
    1,2,4-trichlorobenzene 1077.5
    4-methylpyridine 2275.93
    dibutyl ether 535.52
    2,6-dimethyl-4-heptanol 231.62
    DEF 1999.78
    dimethyl isosorbide 824.65
    tetrachloroethylene 2599.26
    eugenol 459.0
    triacetin 575.99
    span 80 368.67
    1,4-butanediol 330.18
    1,1-dichloroethane 4655.28
    2-methyl-1-pentanol 532.8
    methyl formate 1843.67
    2-methyl-1-butanol 790.01
    n-decane 59.04
    butyronitrile 2036.6
    3,7-dimethyl-1-octanol 289.91
    1-chlorooctane 289.44
    1-chlorotetradecane 103.26
    n-nonane 61.35
    undecane 45.27
    tert-butylcyclohexane 88.89
    cyclooctane 60.71
    cyclopentanol 1074.88
    tetrahydropyran 3163.03
    tert-amyl methyl ether 729.99
    2,5,8-trioxanonane 863.49
    1-hexene 605.49
    2-isopropoxyethanol 713.17
    2,2,2-trifluoroethanol 561.89
    methyl butyrate 1637.47

    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