alpha-HEXYLCINNAMALDEHYDE

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  • Identifiers

    CAS number
    101-86-0

    Molecular formula
    C15H20O

    SMILES
    CCCCCC/C(=C\C1=CC=CC=C1)/C=O

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1745.0
    • Carbowax: 2309.0

  • Odor profile

    Floral 81.41%
    Green 81.04%
    Fruity 70.24%
    Sweet 57.54%
    Jasmin 57.0%
    Herbal 55.93%
    Waxy 52.93%
    Fresh 48.1%
    Oily 43.93%
    Aldehydic 43.12%

    Scent© AI

  • Properties

    XLogP3-AA
    4.8

    Molecular weight
    216.32 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    315°C

    Melting point expt.

    • 4 °C

    Flash point est.
    147.45 ˚C

    Solubility expt.

    • insoluble in water; miscible in oils
    • miscible (in ethanol)

  • Synonyms

    • alpha-Hexylcinnamaldehyde
    • Hexyl cinnamic aldehyde
    • 101-86-0
    • (2E)-2-benzylideneoctanal
    • 2-Benzylideneoctanal
    • Hexylcinnamaldehyde
    • 165184-98-5
    • 2-Hexylcinnamaldehyde
    • (E)-2-benzylideneoctanal
    • alpha-Hexylcinnamic aldehyde
    • CHEBI:55365
    • alpha-n-Hexyl-beta-phenylacrolein
    • (2E)-2-(phenylmethylidene)octanal
    • 2-Hexyl-3-phenyl-2-propenal
    • alpha-Hexylcinnamyl aldehyde
    • Octanal, 2-(phenylmethylene)-
    • 2-(Phenylmethylene)octanal
    • 2-[(E)-benzylidene]octanal
    • alpha-Hexyl-beta-phenylacrolein
    • E9947QRR9O
    • alpha-Hexylcinnamaldehyde, (2E)-
    • 2-Hexenyl cynnamaldehyde
    • alpha -hexylcinnamaldehyde
    • .alpha.-Hexylcinnamaldehyde
    • EC 639-566-4
    • 2-HEXYL-(E)-CINNAMALDEHYDE
    • NSC-406799
    • .alpha.-n-Hexyl-.beta.-phenylacrolein
    • Octanal, 2-(phenylmethylene)-, (2E)-
    • .ALPHA.-HEXYLCINNAMALDEHYDE, (2E)-
    • OCTANAL, 2-(PHENYLMETHYLENE)-, (E)-
    • 2-((E)-benzylidene)octanal
    • WLN: VHY6 & U1R
    • DTXCID806684
    • Hexyl cinnamic aldehyde (VAN)
    • hexyl cinnamal
    • hexyl cinnamaldehyde
    • a-hexylcinnamaldehyde
    • alpha-hexyl cinnamaldehyde
    • n-Hexyl cinnamaldehyde
    • CAS-101-86-0
    • 2-Hexyl-3-phenyl-propenal
    • .alpha.-Hexylcinnamic aldehyde
    • 7X6O37OK2I
    • alpha-n-hexylcinnamaldehyde
    • DTXSID4026684
    • UNII-E9947QRR9O
    • Hexylcinnamal
    • Hexylzimtaldehyd
    • Jasmonal H.
    • 2-benzylidene-octanal
    • alpha-hexylcinna-maldehyde
    • -Hexyl-3-phenyl-propenal
    • Epitope ID:117426
    • a-Hexylcinnamaldehyde, 8CI
    • 2-(phenylmethylene)-octanal
    • alpha -hexylcinnamic aldehyde
    • alpha-n-hexylcinnamic aldehyde
    • MLS002174256
    • Cinnamaldehyde, alpha -hexyl-
    • SCHEMBL113170
    • alpha-n-Hexyl cinnamic aldehyde
    • CHEMBL1449245
    • FEMA 2569
    • (2E)-alpha-n-hexylcinnamaldehyde
    • (2E)-2-(Phenylmethylene)octanal
    • 2-(Phenylmethylene)octanal, 9CI
    • |A-Hexylcinnamaldehyde (Standard)
    • DTXSID401020801
    • HMS3039O14
    • 2-(PHENYLMETHYLENE) OCTANOL
    • HY-W014118R
    • NSC46150
    • alpha -N-hexyl-beta -phenylacrolein
    • Tox21_202301
    • Tox21_300142
    • BBL027629
    • MFCD00006989
    • NSC-46150
    • NSC406799
    • STK709222
    • (2Z)-2-Hexyl-3-phenyl-2-propenal
    • AKOS015839664
    • ALPHA-HEXYLCINNAMALDEHYDE [FCC]
    • CS-W014834
    • HY-W014118
    • NCGC00090930-01
    • NCGC00090930-02
    • NCGC00254188-01
    • NCGC00259850-01
    • alpha -N-hexyl-alpha -hexylcinnamaldehyde
    • FH175232
    • LS-14416
    • SMR001261427
    • VS-08571
    • .ALPHA.-HEXYL CINNAMALDEHYDE [FHFI]
    • EN300-18426
    • Hexylcinnamal 2000 microg/mL in Acetonitrile
    • alpha-Hexylcinnamaldehyde, >=95%, stabilized, FG
    • Q412025
    • Z57936859
    • 2-(phenylmethylene)octanal (.beta.-hexyl cinnamaldehyde)
    • alpha-Hexylcinnamaldehyde, analytical reference material
    • 202-983-3
    • 639-566-4
    • Jasmonal H

  • Applications

    Alpha-HEXYLCINNAMALDEHYDE (hexyl cinnamal, CAS 101-86-0) is a jasmine-like, sweet, slightly green fragrance aldehyde with medium–low volatility, widely used as a key odorant and fixative in fine fragrances and functional perfumes for cosmetics, shampoos, body washes, lotions, deodorants, soaps, detergents, fabric softeners, household cleaners, scented candles and air care, valued for its fabric substantivity, laundry bloom, and stability under alkaline/heat conditions; it is employed to build white-floral accords (jasmine, muguet, lilac) and fresh-clean notes, and blends well with ionones, hedione, musks and long-chain aldehydes to enhance diffusion and longevity; it is also formulated via microencapsulation or adsorption onto carriers (polymers, zeolites, cyclodextrins) for controlled release in home-care products; use should comply with IFRA standards and allergen-labeling regulations (e.g., EU) due to skin-sensitization potential at higher levels.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 2328.39
    methanol 2186.76
    isopropanol 1417.23
    water 0.05
    ethyl acetate 5474.98
    n-propanol 1953.04
    acetone 5738.21
    n-butanol 1659.9
    acetonitrile 3378.1
    DMF 5041.6
    toluene 1727.61
    isobutanol 1176.97
    1,4-dioxane 2972.09
    methyl acetate 3226.85
    THF 3008.39
    2-butanone 4100.31
    n-pentanol 864.19
    sec-butanol 1112.98
    n-hexane 160.38
    ethylene glycol 166.53
    NMP 2238.93
    cyclohexane 250.78
    DMSO 3900.93
    n-butyl acetate 2203.11
    n-octanol 218.52
    chloroform 5867.68
    n-propyl acetate 2122.16
    acetic acid 1104.99
    dichloromethane 7930.77
    cyclohexanone 3916.53
    propylene glycol 338.34
    isopropyl acetate 2340.74
    DMAc 2784.88
    2-ethoxyethanol 1194.78
    isopentanol 1257.67
    n-heptane 64.46
    ethyl formate 1551.45
    1,2-dichloroethane 7179.06
    n-hexanol 907.21
    2-methoxyethanol 2429.6
    isobutyl acetate 1046.42
    tetrachloromethane 485.8
    n-pentyl acetate 835.8
    transcutol 5877.47
    n-heptanol 260.43
    ethylbenzene 639.71
    MIBK 1534.01
    2-propoxyethanol 1488.65
    tert-butanol 1265.06
    MTBE 2152.57
    2-butoxyethanol 643.02
    propionic acid 1187.37
    o-xylene 584.78
    formic acid 216.64
    diethyl ether 3998.01
    m-xylene 762.93
    p-xylene 619.57
    chlorobenzene 2100.28
    dimethyl carbonate 938.5
    n-octane 26.21
    formamide 653.54
    cyclopentanone 3817.3
    2-pentanone 3723.37
    anisole 1356.44
    cyclopentyl methyl ether 2072.46
    gamma-butyrolactone 3401.7
    1-methoxy-2-propanol 1794.29
    pyridine 3945.55
    3-pentanone 2513.97
    furfural 2304.96
    n-dodecane 18.44
    diethylene glycol 738.78
    diisopropyl ether 679.7
    tert-amyl alcohol 935.0
    acetylacetone 3089.12
    n-hexadecane 22.57
    acetophenone 1155.34
    methyl propionate 3367.17
    isopentyl acetate 1634.23
    trichloroethylene 9632.58
    n-nonanol 205.86
    cyclohexanol 1126.61
    benzyl alcohol 837.23
    2-ethylhexanol 528.59
    isooctanol 239.7
    dipropyl ether 1062.78
    1,2-dichlorobenzene 1629.24
    ethyl lactate 478.1
    propylene carbonate 1681.74
    n-methylformamide 1977.09
    2-pentanol 1040.28
    n-pentane 122.96
    1-propoxy-2-propanol 1162.05
    1-methoxy-2-propyl acetate 1681.84
    2-(2-methoxypropoxy) propanol 587.94
    mesitylene 380.89
    ε-caprolactone 2569.97
    p-cymene 229.36
    epichlorohydrin 5274.3
    1,1,1-trichloroethane 3775.07
    2-aminoethanol 566.55
    morpholine-4-carbaldehyde 2116.17
    sulfolane 3144.06
    2,2,4-trimethylpentane 57.92
    2-methyltetrahydrofuran 2767.07
    n-hexyl acetate 947.53
    isooctane 54.23
    2-(2-butoxyethoxy)ethanol 946.38
    sec-butyl acetate 1254.9
    tert-butyl acetate 1732.3
    decalin 114.61
    glycerin 340.42
    diglyme 2132.6
    acrylic acid 804.66
    isopropyl myristate 306.2
    n-butyric acid 2285.73
    acetyl acetate 1746.22
    di(2-ethylhexyl) phthalate 225.23
    ethyl propionate 1826.4
    nitromethane 3499.87
    1,2-diethoxyethane 2408.16
    benzonitrile 1405.67
    trioctyl phosphate 160.71
    1-bromopropane 3513.8
    gamma-valerolactone 3797.65
    n-decanol 147.23
    triethyl phosphate 338.97
    4-methyl-2-pentanol 448.71
    propionitrile 2350.81
    vinylene carbonate 1534.0
    1,1,2-trichlorotrifluoroethane 2059.76
    DMS 978.25
    cumene 306.41
    2-octanol 171.71
    2-hexanone 1848.53
    octyl acetate 358.08
    limonene 370.79
    1,2-dimethoxyethane 2344.18
    ethyl orthosilicate 330.75
    tributyl phosphate 251.55
    diacetone alcohol 1310.48
    N,N-dimethylaniline 588.5
    acrylonitrile 2681.18
    aniline 1558.51
    1,3-propanediol 885.81
    bromobenzene 2466.72
    dibromomethane 4846.89
    1,1,2,2-tetrachloroethane 6769.27
    2-methyl-cyclohexyl acetate 605.43
    tetrabutyl urea 330.32
    diisobutyl methanol 283.49
    2-phenylethanol 719.02
    styrene 1057.05
    dioctyl adipate 426.84
    dimethyl sulfate 1111.45
    ethyl butyrate 1337.29
    methyl lactate 684.2
    butyl lactate 517.02
    diethyl carbonate 702.64
    propanediol butyl ether 491.07
    triethyl orthoformate 640.7
    p-tert-butyltoluene 211.18
    methyl 4-tert-butylbenzoate 524.4
    morpholine 3947.07
    tert-butylamine 776.06
    n-dodecanol 108.92
    dimethoxymethane 3156.33
    ethylene carbonate 1391.6
    cyrene 452.99
    2-ethoxyethyl acetate 1318.55
    2-ethylhexyl acetate 1150.43
    1,2,4-trichlorobenzene 1803.62
    4-methylpyridine 3790.55
    dibutyl ether 742.01
    2,6-dimethyl-4-heptanol 283.49
    DEF 3659.18
    dimethyl isosorbide 1037.4
    tetrachloroethylene 3708.1
    eugenol 518.68
    triacetin 779.09
    span 80 428.59
    1,4-butanediol 289.21
    1,1-dichloroethane 5709.18
    2-methyl-1-pentanol 759.89
    methyl formate 1233.36
    2-methyl-1-butanol 1146.66
    n-decane 33.57
    butyronitrile 2397.96
    3,7-dimethyl-1-octanol 315.59
    1-chlorooctane 255.61
    1-chlorotetradecane 81.22
    n-nonane 33.4
    undecane 23.8
    tert-butylcyclohexane 95.1
    cyclooctane 65.03
    cyclopentanol 834.99
    tetrahydropyran 4000.8
    tert-amyl methyl ether 1198.64
    2,5,8-trioxanonane 1126.94
    1-hexene 929.53
    2-isopropoxyethanol 835.41
    2,2,2-trifluoroethanol 294.74
    methyl butyrate 2433.77

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 1.8 % Category 7A
Rinse-off products applied to the hair with some hand contact
 20 %
Category 2
Products applied to the axillae
 0.53 % Category 7B
Leave-on products applied to the hair with some hand contact
 20 %
Category 3
Products applied to the face/body using fingertips
 11 % Category 8
Products with significant anogenital exposure
 1 %
Category 4
Products related to fine fragrance
 9.9 % Category 9
Products with body and hand exposure, primarily rinse off
 19 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 2.5 % Category 10A
Household care products with mostly hand contact
 69 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 2.5 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 69 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 2.5 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 38 %
Category 5D
Baby Creams, baby Oils and baby talc
 2.5 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 38 %
Category 6
Products with oral and lip exposure
 5.8 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.4%
Dendranthema vestitum flower absolute (China) Dendranthema vestitum (Hemsl.) Ling ex Shih, fam. Asteraceae (Compositae) 0.49%
Cinnamon leaf (India) 4 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.33%