Benzoin

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  • Identifiers

    CAS number
    119-53-9

    Molecular formula
    C14H12O2

    SMILES
    C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O

  • Odor profile

    Fragrance
    Sweet 70.23%
    Balsamic 65.59%
    Spicy 55.09%
    Vanilla 44.24%
    Honey 43.25%
    Powdery 39.86%
    Almond 38.72%
    Floral 37.36%
    Cinnamon 36.55%
    Herbal 35.3%

     

    Flavor
    Bitter 41.9%
    Balsam 40.85%
    Sweet 37.91%
    Fruity 32.41%
    Honey 31.9%
    Rose 28.98%
    Odorless 27.6%
    Powdery 25.89%
    Balsamic 25.65%
    Mild 24.97%

     

    Odor impact est.
    Medium

  • Properties

    XLogP3-AA
    2.1

    pKa est.
    7.42 (neutral)

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 279 °F (NTP, 1992)
    • 134-138
    • MP:133-4 °C /D & L FORMS/
    • 137 °C

    Boiling point

    • 651 °F at 760 mmHg (NTP, 1992)
    • 194 undefined
    • 194.00 °C. @ 12.00 mm Hg
    • at 102.4kPa: 344 °C

    Flash point

    • 161.45 ˚C est.

    Solubility expt.

    • less than 0.1 mg/mL at 64 °F (NTP, 1992)
    • SOL IN 3335 PARTS WATER, MORE SOL IN HOT WATER; SOL IN 5 PARTS PYRIDINE; ACETONE; SOL IN BOILING ALC; SLIGHTLY SOL IN ETHER /DL-FORM/
    • SOL IN HOT METHANOL; SOL IN HOT ALCOHOL; ACETONE /D & L-FORMS/
    • SOL IN PYRIDINE /D-FORM/
    • 0.3 mg/mL at 25 °C
    • Solubility in water, g/100ml: 0.03
    • insoluble in water; slightly soluble in hot water, oils
    • slightly soluble (in ethanol)

  • Synonyms

    • BENZOIN
    • 119-53-9
    • 2-Hydroxy-1,2-diphenylethanone
    • 2-Hydroxy-2-phenylacetophenone
    • Benzoylphenylcarbinol
    • Ethanone, 2-hydroxy-1,2-diphenyl-
    • DL-BENZOIN
    • 579-44-2
    • (+-)-Benzoin
    • alpha-Hydroxybenzyl phenyl ketone
    • Phenylbenzoyl carbinol
    • 2-hydroxy-1,2-diphenylethan-1-one
    • alpha-Hydroxy-alpha-phenylacetophenone
    • Aerozoin
    • Phenyl-alpha-hydroxybenzyl ketone
    • desyl alcohol
    • FEMA No. 2132
    • NCI-C50011
    • Acetophenone, 2-hydroxy-2-phenyl-
    • NSC 8082
    • MFCD00004496
    • Wy 42956
    • Hydroxy-2-phenyl acetophenone
    • 2-hydroxy-1,2-diphenyl-ethanone
    • NSC-8082
    • a-Hydroxybenzyl phenyl ketone
    • CHEMBL190677
    • L7J6A1NE81
    • DTXSID1020144
    • CHEBI:17682
    • Phenyl-.alpha.-hydroxybenzyl ketone
    • Ketone, .alpha.-hydroxybenzyl phenyl
    • NCGC00091396-02
    • .alpha.-Hydroxy-.alpha.-phenylacetophenone
    • DTXCID10144
    • CCRIS 75
    • CAS-119-53-9
    • (RS)-Benzoin
    • Benzoin (VAN)
    • HSDB 384
    • Ketone, alpha-hydroxybenzyl phenyl
    • EINECS 204-331-3
    • EINECS 209-441-5
    • Fenyl-alpha-hydroxybenzylketon [Czech]
    • benzoine
    • BRN 0391839
    • UNII-L7J6A1NE81
    • Fenyl-alpha-hydroxybenzylketon
    • WY-42956
    • AI3-00851
    • Benzoin absolute
    • CCRIS 9123
    • DL-Benzoin; Desyl alcohol;(+/-)-2-Hydroxy-2-phenylacetophenone
    • 2-hydroxy-1,2-diphenyl ethanone
    • Alpha-hydroxy-a-phenylacetophenone
    • benzoin resin siam
    • PhCH(OH)COPh
    • PhCOCH(OH)Ph
    • Benzoin, 98%
    • (+/-)-benzoin
    • (1)-2-Hydroxy-1,2-diphenylethan-1-one
    • Benzoin, >=98%
    • BENZOIN [MI]
    • (.+/-.)-Benzoin
    • WLN: QYR&VR
    • SCHEMBL145
    • EC 204-331-3
    • Hyperabsolute benzoin, Siam
    • Benzoin, analytical standard
    • Oprea1_687165
    • 4-08-00-01279 (Beilstein Handbook Reference)
    • MLS002152893
    • a-Hydroxy-a-phenylacetophenone
    • FEMA No. 2133
    • 2-hydroxy-2-phenyl-acetophenone
    • BENZOIN, (+/-)-
    • Fenyl-.alpha.-hydroxybenzylketon
    • BDBM22728
    • FEMA 2132
    • HSDB 1929
    • NSC8082
    • alpha -Hydroxybenzyl phenyl ketone
    • HMS3039I03
    • Phenyl-alpha -hydroxybenzyl ketone
    • .alpha.-Hydroxybenzyl phenyl ketone
    • HY-B1550
    • Tox21_111126
    • Tox21_201888
    • Tox21_302790
    • STK358785
    • AKOS000118894
    • AKOS016038141
    • Tox21_111126_1
    • 2-Hydroxy-1,2-diphenylethanone, 9CI
    • Benzoin 100 microg/mL in Acetonitrile
    • CS-W020562
    • DB14020
    • FB34686
    • alpha -Hydroxy-alpha -phenylacetophenone
    • NCGC00091396-01
    • NCGC00091396-03
    • NCGC00091396-05
    • NCGC00256433-01
    • NCGC00259437-01
    • AC-11139
    • Benzoin, Vetec(TM) reagent grade, 98%
    • BS-14748
    • DA-51025
    • SMR001224505
    • DB-018065
    • B0079
    • B0222
    • Benzoin Zone Refined (number of passes:40)
    • Benzoin, purified by sublimation, >=99.5%
    • NS00001432
    • EN300-18095
    • C01408
    • D77908
    • Ethanone, 2-hydroxy-1,2-diphenyl-, (+/-)-
    • SBI-0653864.0001
    • (+/-)-2-HYDROXY-1,2-DIPHENYLETHANONE
    • Ethanone, 2-hydroxy-1,2-diphenyl-, (A+/-)-
    • AE-848/06163047
    • Ethanone, 2-hydroxy-1,2-diphenyl-, (.+/-.)-
    • Q426819
    • SR-01000854680
    • SR-01000854680-2
    • BRD-A55748233-001-08-7

  • Applications

    Benzoin (CAS 119-53-9) is primarily used as an intermediate in organic synthesis, notably for the preparation of benzil and other alpha-hydroxy ketone derivatives; in fragrance and cosmetics, it serves as a fragrance ingredient and fixative to help extend scent life; it also functions as a key intermediate in the manufacture of aromatic compounds and related fragrance materials; in coatings and inks, benzoin derivatives are used as precursors for photoinitiators in UV-curing systems; overall, it provides a useful feedstock for polymer and resin synthesis, subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 8.42
    methanol 11.35
    isopropanol 4.33
    water 0.3
    ethyl acetate 32.41
    n-propanol 5.83
    acetone 44.02
    n-butanol 4.57
    acetonitrile 26.61
    DMF 129.08
    toluene 10.17
    isobutanol 4.3
    1,4-dioxane 63.9
    methyl acetate 43.55
    THF 77.97
    2-butanone 36.9
    n-pentanol 7.53
    sec-butanol 4.93
    n-hexane 1.14
    ethylene glycol 9.43
    NMP 58.8
    cyclohexane 2.78
    DMSO 73.42
    n-butyl acetate 26.18
    n-octanol 17.6
    chloroform 53.52
    n-propyl acetate 28.14
    acetic acid 41.44
    dichloromethane 44.03
    cyclohexanone 57.62
    propylene glycol 7.88
    isopropyl acetate 26.03
    DMAc 158.45
    2-ethoxyethanol 24.04
    isopentanol 7.74
    n-heptane 2.79
    ethyl formate 24.51
    1,2-dichloroethane 62.12
    n-hexanol 15.53
    2-methoxyethanol 41.97
    isobutyl acetate 22.68
    tetrachloromethane 3.86
    n-pentyl acetate 25.11
    transcutol 300.62
    n-heptanol 18.28
    ethylbenzene 16.63
    MIBK 27.49
    2-propoxyethanol 37.64
    tert-butanol 13.7
    MTBE 16.07
    2-butoxyethanol 40.11
    propionic acid 23.21
    o-xylene 14.32
    formic acid 16.77
    diethyl ether 15.45
    m-xylene 12.04
    p-xylene 17.48
    chlorobenzene 26.01
    dimethyl carbonate 41.96
    n-octane 2.33
    formamide 48.24
    cyclopentanone 68.67
    2-pentanone 27.5
    anisole 42.2
    cyclopentyl methyl ether 20.87
    gamma-butyrolactone 85.07
    1-methoxy-2-propanol 30.9
    pyridine 61.2
    3-pentanone 27.49
    furfural 95.14
    n-dodecane 2.46
    diethylene glycol 36.41
    diisopropyl ether 8.39
    tert-amyl alcohol 12.33
    acetylacetone 60.79
    n-hexadecane 2.81
    acetophenone 52.14
    methyl propionate 33.03
    isopentyl acetate 30.71
    trichloroethylene 129.79
    n-nonanol 19.42
    cyclohexanol 8.88
    benzyl alcohol 23.59
    2-ethylhexanol 15.54
    isooctanol 17.37
    dipropyl ether 21.03
    1,2-dichlorobenzene 39.86
    ethyl lactate 23.93
    propylene carbonate 58.53
    n-methylformamide 40.45
    2-pentanol 4.59
    n-pentane 0.74
    1-propoxy-2-propanol 30.62
    1-methoxy-2-propyl acetate 42.67
    2-(2-methoxypropoxy) propanol 60.59
    mesitylene 12.19
    ε-caprolactone 48.91
    p-cymene 14.7
    epichlorohydrin 83.63
    1,1,1-trichloroethane 30.28
    2-aminoethanol 12.24
    morpholine-4-carbaldehyde 86.76
    sulfolane 95.85
    2,2,4-trimethylpentane 1.61
    2-methyltetrahydrofuran 26.38
    n-hexyl acetate 37.27
    isooctane 1.66
    2-(2-butoxyethoxy)ethanol 81.72
    sec-butyl acetate 23.24
    tert-butyl acetate 37.58
    decalin 3.89
    glycerin 21.37
    diglyme 174.32
    acrylic acid 32.81
    isopropyl myristate 21.27
    n-butyric acid 26.77
    acetyl acetate 38.0
    di(2-ethylhexyl) phthalate 19.35
    ethyl propionate 29.37
    nitromethane 107.1
    1,2-diethoxyethane 57.4
    benzonitrile 37.15
    trioctyl phosphate 14.79
    1-bromopropane 12.15
    gamma-valerolactone 86.52
    n-decanol 15.06
    triethyl phosphate 23.35
    4-methyl-2-pentanol 8.76
    propionitrile 21.92
    vinylene carbonate 66.04
    1,1,2-trichlorotrifluoroethane 79.04
    DMS 48.19
    cumene 15.68
    2-octanol 12.19
    2-hexanone 28.84
    octyl acetate 23.15
    limonene 15.77
    1,2-dimethoxyethane 80.05
    ethyl orthosilicate 21.41
    tributyl phosphate 16.91
    diacetone alcohol 44.5
    N,N-dimethylaniline 32.95
    acrylonitrile 44.91
    aniline 16.29
    1,3-propanediol 15.02
    bromobenzene 22.47
    dibromomethane 25.22
    1,1,2,2-tetrachloroethane 104.05
    2-methyl-cyclohexyl acetate 31.24
    tetrabutyl urea 26.5
    diisobutyl methanol 15.23
    2-phenylethanol 30.16
    styrene 17.3
    dioctyl adipate 33.29
    dimethyl sulfate 60.65
    ethyl butyrate 28.99
    methyl lactate 32.32
    butyl lactate 28.31
    diethyl carbonate 28.3
    propanediol butyl ether 37.25
    triethyl orthoformate 26.78
    p-tert-butyltoluene 14.0
    methyl 4-tert-butylbenzoate 53.24
    morpholine 46.59
    tert-butylamine 8.92
    n-dodecanol 11.94
    dimethoxymethane 65.28
    ethylene carbonate 45.99
    cyrene 47.34
    2-ethoxyethyl acetate 43.57
    2-ethylhexyl acetate 22.76
    1,2,4-trichlorobenzene 42.76
    4-methylpyridine 33.36
    dibutyl ether 25.99
    2,6-dimethyl-4-heptanol 15.23
    DEF 48.53
    dimethyl isosorbide 87.95
    tetrachloroethylene 62.9
    eugenol 52.42
    triacetin 56.62
    span 80 40.63
    1,4-butanediol 7.35
    1,1-dichloroethane 23.92
    2-methyl-1-pentanol 10.35
    methyl formate 39.21
    2-methyl-1-butanol 5.85
    n-decane 3.82
    butyronitrile 15.36
    3,7-dimethyl-1-octanol 19.43
    1-chlorooctane 13.97
    1-chlorotetradecane 6.86
    n-nonane 3.1
    undecane 2.99
    tert-butylcyclohexane 3.73
    cyclooctane 1.45
    cyclopentanol 9.32
    tetrahydropyran 31.5
    tert-amyl methyl ether 15.33
    2,5,8-trioxanonane 121.5
    1-hexene 5.26
    2-isopropoxyethanol 21.02
    2,2,2-trifluoroethanol 21.12
    methyl butyrate 36.62

    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