3-Phenyl-1-propanol

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  • Identifiers

    CAS number
    122-97-4

    Molecular formula
    C9H12O

    SMILES
    C1=CC=C(C=C1)CCCO

    Safety labels

    Corrosive
    Corrosive

    Irritant
    Irritant

    Retention indicies (RI)

    • Carbowax: 2023.67

  • Odor profile

    Floral 88.55%
    Rose 77.71%
    Sweet 76.61%
    Balsamic 65.56%
    Honey 51.2%
    Hyacinth 47.99%
    Spicy 46.98%
    Cinnamon 40.91%
    Herbal 37.92%
    Green 35.43%

    Scent© AI

  • Properties

    XLogP3-AA
    1.9

    pKa est.
    7.4 (neutral)

    Molecular weight
    136.19 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Melting point expt.

    • <-18 °C
    • < -18 °C

    Boiling point

    • 241 °C
    • Boiling point: 508.2 - 515.15 deg K; boiling point: 119 °C at 12 mm Hg
    • 235.00 to 236.00 °C. @ 760.00 mm Hg

    Flash point est.
    117.98 ˚C

    Flash point expt.

    • Flash Point: 212 °F/ 100 °C/ closed cup

    Solubility expt.

    • In water, 5,680 mg/L at 25 °C
    • Soluble in carbon tetrachloride; miscible with ethanol, ether
    • Soluble in fixed oils, propylene glycol; insoluble in glycerin
    • 5.68 mg/mL at 25 °C
    • slightly soluble in water; soluble in oils
    • miscible (in ethanol)

  • Synonyms

    • 3-PHENYL-1-PROPANOL
    • 3-Phenylpropan-1-ol
    • 122-97-4
    • Benzenepropanol
    • Hydrocinnamyl alcohol
    • 3-Phenylpropanol
    • 3-Phenylpropyl alcohol
    • Hydrocinnamic alcohol
    • 3-Benzenepropanol
    • Phenylpropyl alcohol
    • 1-Propanol, 3-phenyl-
    • 3-Phenyl-n-propanol
    • (3-Hydroxypropyl)benzene
    • 3-Phenylpropanol-1
    • gamma-Phenylpropanol
    • 1-Hydroxy-3-phenylpropane
    • Dihydrocinnamal alcohol
    • .gamma.-Phenylpropanol
    • FEMA No. 2885
    • .gamma.-Phenylpropyl alcohol
    • MFCD00002950
    • NSC 16942
    • Phenylpropylic alcohol
    • dihydrocinnamyl alcohol
    • 3-phenyl-propan-1-ol
    • 3- Phenylprophyl alcohol
    • DTXSID6041638
    • CHEBI:88817
    • 3-PHENYL-PROPAN-(1)-OL
    • U04IC2765C
    • NSC-16942
    • NCGC00165987-02
    • Propanol, phenyl-
    • 93842-54-7
    • DTXCID4021638
    • CAS-122-97-4
    • CCRIS 3200
    • 3-Phenyl-1-propanol (natural)
    • EINECS 204-587-6
    • Alverine Citrate Impurity B
    • BRN 1857542
    • phenyl-propanol
    • UNII-U04IC2765C
    • AI3-02067
    • 3-phenyl propanol
    • phenylethyl carbinol
    • Alverine Citrate Imp. B (EP); Alverine Imp. B (EP); 3-Phenylpropan-1-ol; Alverine Citrate Impurity B; Alverine Impurity B
    • Benzenepropanol, 9CI
    • 3-phenyl-1 -propanol
    • SCHEMBL1922
    • 4-06-00-03198 (Beilstein Handbook Reference)
    • 3-Phenyl-1-propanol, 98%
    • laquo gammaRaquo -phenylpropanol
    • CHEMBL1606391
    • FEMA 2885
    • HSDB 8266
    • NSC16942
    • 3-PHENYL-1-PROPANOL [FCC]
    • Tox21_113458
    • Tox21_301674
    • 3-PHENYL-1-PROPANOL [FHFI]
    • AC1807
    • laquo gammaRaquo -phenylpropyl alcohol
    • AKOS005217370
    • Tox21_113458_1
    • DS-6455
    • FP32617
    • SB67303
    • 3-Phenyl-1-propanol, >=98%, FCC
    • NCGC00165987-01
    • NCGC00165987-03
    • NCGC00255550-01
    • 1335-12-2
    • AC-14708
    • HY-41304
    • SY003672
    • CS-0015960
    • NS00013112
    • P0214
    • EN300-20065
    • ALVERINE CITRATE IMPURITY B [EP IMPURITY]
    • Q27160792
    • Z104476660
    • InChI=1/C9H12O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H

  • Applications

    3-Phenyl-1-propanol (CAS 122-97-4) is a versatile aromatic alcohol employed extensively in fragrance and cosmetic industries to impart a warm, sweet-flowery, long-lasting note to perfumes, soaps, deodorants and scented candles; in food technology it serves as a flavor modifier that deepens fruity, chocolate, caramel and spirits profiles; in pharmaceuticals it acts as an intermediate for benzyl derivatives investigated for anti-inflammatory and antifungal activities and as a solubilizing excipient for poorly soluble actives; additionally the compound is a valuable building block for functional polymers, non-ionic surfactants and bio-based plasticizers, and it is used as a GC-MS analytical standard for calibrating C3-substituted aromatic chains, highlighting the broad applicability of 3-Phenyl-1-propanol from laboratory research to large-scale manufacturing.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8286.12
    methanol 9181.7
    isopropanol 5845.7
    water 3.7
    ethyl acetate 5241.91
    n-propanol 6373.63
    acetone 7055.19
    n-butanol 4724.44
    acetonitrile 5415.45
    DMF 4907.42
    toluene 668.29
    isobutanol 3717.81
    1,4-dioxane 5084.66
    methyl acetate 4343.24
    THF 4178.1
    2-butanone 3966.42
    n-pentanol 2119.35
    sec-butanol 3295.76
    n-hexane 133.2
    ethylene glycol 1879.58
    NMP 1999.24
    cyclohexane 174.24
    DMSO 9508.81
    n-butyl acetate 2034.72
    n-octanol 421.81
    chloroform 3075.07
    n-propyl acetate 1978.81
    acetic acid 4110.54
    dichloromethane 4096.54
    cyclohexanone 3182.22
    propylene glycol 2066.5
    isopropyl acetate 1640.84
    DMAc 1720.66
    2-ethoxyethanol 2753.52
    isopentanol 2763.49
    n-heptane 137.06
    ethyl formate 3010.29
    1,2-dichloroethane 3445.86
    n-hexanol 2092.8
    2-methoxyethanol 6464.46
    isobutyl acetate 761.63
    tetrachloromethane 544.51
    n-pentyl acetate 559.67
    transcutol 4876.92
    n-heptanol 534.35
    ethylbenzene 251.6
    MIBK 1099.76
    2-propoxyethanol 2676.21
    tert-butanol 4540.82
    MTBE 2194.34
    2-butoxyethanol 968.07
    propionic acid 4275.2
    o-xylene 307.06
    formic acid 1417.01
    diethyl ether 3197.42
    m-xylene 381.72
    p-xylene 269.69
    chlorobenzene 971.18
    dimethyl carbonate 841.71
    n-octane 34.13
    formamide 3228.12
    cyclopentanone 4040.19
    2-pentanone 3555.41
    anisole 822.14
    cyclopentyl methyl ether 2136.61
    gamma-butyrolactone 4884.58
    1-methoxy-2-propanol 3328.32
    pyridine 2904.22
    3-pentanone 1944.59
    furfural 2507.78
    n-dodecane 22.2
    diethylene glycol 1692.45
    diisopropyl ether 482.37
    tert-amyl alcohol 2234.83
    acetylacetone 2218.92
    n-hexadecane 25.15
    acetophenone 578.71
    methyl propionate 3286.81
    isopentyl acetate 1178.65
    trichloroethylene 4552.05
    n-nonanol 322.32
    cyclohexanol 1937.91
    benzyl alcohol 698.8
    2-ethylhexanol 822.34
    isooctanol 363.61
    dipropyl ether 1458.77
    1,2-dichlorobenzene 622.59
    ethyl lactate 487.34
    propylene carbonate 1796.47
    n-methylformamide 5498.06
    2-pentanol 2398.17
    n-pentane 141.21
    1-propoxy-2-propanol 1779.67
    1-methoxy-2-propyl acetate 1193.98
    2-(2-methoxypropoxy) propanol 481.36
    mesitylene 182.93
    ε-caprolactone 2473.88
    p-cymene 161.06
    epichlorohydrin 5080.93
    1,1,1-trichloroethane 1965.1
    2-aminoethanol 3924.41
    morpholine-4-carbaldehyde 2502.72
    sulfolane 3730.87
    2,2,4-trimethylpentane 63.31
    2-methyltetrahydrofuran 3580.35
    n-hexyl acetate 687.67
    isooctane 58.72
    2-(2-butoxyethoxy)ethanol 900.29
    sec-butyl acetate 790.07
    tert-butyl acetate 1080.72
    decalin 67.92
    glycerin 1592.59
    diglyme 2003.03
    acrylic acid 2576.04
    isopropyl myristate 182.22
    n-butyric acid 5045.41
    acetyl acetate 1301.64
    di(2-ethylhexyl) phthalate 154.44
    ethyl propionate 1412.76
    nitromethane 7454.32
    1,2-diethoxyethane 1803.46
    benzonitrile 870.13
    trioctyl phosphate 142.4
    1-bromopropane 1478.08
    gamma-valerolactone 4106.81
    n-decanol 226.64
    triethyl phosphate 247.08
    4-methyl-2-pentanol 717.23
    propionitrile 3577.94
    vinylene carbonate 1450.28
    1,1,2-trichlorotrifluoroethane 2164.8
    DMS 509.35
    cumene 144.93
    2-octanol 258.0
    2-hexanone 1525.2
    octyl acetate 244.87
    limonene 316.33
    1,2-dimethoxyethane 3422.66
    ethyl orthosilicate 267.65
    tributyl phosphate 191.86
    diacetone alcohol 1240.12
    N,N-dimethylaniline 332.93
    acrylonitrile 3789.22
    aniline 1419.58
    1,3-propanediol 4032.34
    bromobenzene 874.51
    dibromomethane 2227.88
    1,1,2,2-tetrachloroethane 3048.0
    2-methyl-cyclohexyl acetate 433.74
    tetrabutyl urea 248.63
    diisobutyl methanol 350.34
    2-phenylethanol 637.64
    styrene 404.32
    dioctyl adipate 267.58
    dimethyl sulfate 957.64
    ethyl butyrate 1285.38
    methyl lactate 851.81
    butyl lactate 413.95
    diethyl carbonate 602.46
    propanediol butyl ether 719.13
    triethyl orthoformate 564.32
    p-tert-butyltoluene 149.09
    methyl 4-tert-butylbenzoate 333.36
    morpholine 6369.84
    tert-butylamine 2408.93
    n-dodecanol 160.52
    dimethoxymethane 3259.41
    ethylene carbonate 1514.44
    cyrene 385.0
    2-ethoxyethyl acetate 827.54
    2-ethylhexyl acetate 768.02
    1,2,4-trichlorobenzene 681.64
    4-methylpyridine 2231.54
    dibutyl ether 649.63
    2,6-dimethyl-4-heptanol 350.34
    DEF 3193.13
    dimethyl isosorbide 721.83
    tetrachloroethylene 2304.28
    eugenol 367.01
    triacetin 472.67
    span 80 454.49
    1,4-butanediol 1147.5
    1,1-dichloroethane 2819.74
    2-methyl-1-pentanol 1116.77
    methyl formate 3556.28
    2-methyl-1-butanol 2620.86
    n-decane 41.28
    butyronitrile 3394.8
    3,7-dimethyl-1-octanol 369.99
    1-chlorooctane 226.82
    1-chlorotetradecane 66.9
    n-nonane 43.25
    undecane 29.02
    tert-butylcyclohexane 72.98
    cyclooctane 54.4
    cyclopentanol 2347.39
    tetrahydropyran 4387.36
    tert-amyl methyl ether 1099.08
    2,5,8-trioxanonane 931.64
    1-hexene 695.53
    2-isopropoxyethanol 1362.46
    2,2,2-trifluoroethanol 912.74
    methyl butyrate 2191.62

    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
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.27%
Guava fruit (Egypt) 91770-12-6 Psidium guajava L., fam. Myrtaceae 3.5%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.01%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.46%
Mandrake fruit (Israel) Mandragora officinarum L., fam. Solanaceae 2.98%
Daylily, Headspace Living Flower 1 Hemerocallis minor hybrid, fam. Liliaceae 0.11%
Hyacinth, living flower headspace 1a Hyacinthus orientalis L., fam. Liliaceae 0.2%
Hyacinth, picked flower headspace 1b Hyacinthus orientalis L., fam. Liliaceae 0.83%
Styrax (Honduras) 8024-01-9 Liquidambar styraciflua L., fam. Hamamelidaceae 3.1%
Elaeagnus angustifolia flower absolute (China) Elaeagnus angustifolia L., fam. Elaeagnaceae 0.18%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 0.41%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 1.52%
Narcissus tazetta (var. chinensis) headspace 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amarillidaceae 0.04%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.99%
Guava fruit headspace (Reunion island) 91770-12-6 Psidium guajava L., fam. Myrtaceae 0.1%
Cassia, bark (China) 5 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.09%
Cassia, bark (China) 3b 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.54%