Benzyl salicylate

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  • Identifiers

    CAS number
    118-58-1

    Molecular formula
    C14H12O3

    SMILES
    C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2O

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1861.0
    • Carbowax: 2715.2

  • Odor profile

    Fragrance
    Sweet 83.83%
    Balsamic 79.59%
    Floral 66.86%
    Herbal 63.42%
    Green 47.38%
    Fruity 44.45%
    Spicy 42.67%
    Aromatic 36.26%
    Phenolic 34.19%
    Cherry 33.81%

     

    Flavor
    Sweet 71.86%
    Balsam 70.07%
    Herbal 61.85%
    Floral 48.23%
    Wintergreen 43.7%
    Balsamic 43.02%
    Powdery 37.14%
    Oily 35.55%
    Honey 34.42%
    Strawberry 33.92%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    3.2

    pKa est.
    8.31 (weak base)

    Molecular weight
    228.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 75 °F (NTP, 1992)
    • 24 °C
    • 23.4 °C

    Boiling point

    • 406 °F at 26 mmHg (NTP, 1992)
    • 320 °C
    • BP: 211 °C at 2.67 kPa
    • 208.00 °C. @ 26.00 mm Hg

    Flash point

    • 167.36 ˚C est.
    • 180 °C (356 °F) - closed cup
    • >212 °F (>100 °C) - closed cup

    Solubility expt.

    • Slightly soluble (NTP, 1992)
    • In water, 8.8 mg/L at 20 °C, pH 6.8-7.1 /OECD Guideline 105 (Water Solubility)/
    • Slightly soluble in water
    • Miscible with alcohol or ether
    • Soluble in 9 vols of 90% alcohol
    • insoluble in water, glycerol; soluble in organic solvents, oils
    • miscible above 25� (in ethanol)

  • Synonyms

    • BENZYL SALICYLATE
    • 118-58-1
    • Benzyl 2-hydroxybenzoate
    • Benzyl o-hydroxybenzoate
    • Salicylic Acid Benzyl Ester
    • Salicylic acid, benzyl ester
    • Phenylmethyl 2-hydroxybenzoate
    • Benzoic acid, 2-hydroxy-, phenylmethyl ester
    • Salicylsaeurebenzylester
    • NSC 6647
    • Salicyclic acid, benzyl ester
    • FEMA No. 2151
    • CCRIS 4749
    • UNII-WAO5MNK9TU
    • WAO5MNK9TU
    • 2-Hydroxybenzoic acid phenylmethyl ester
    • EINECS 204-262-9
    • Salicyclic acid benzyl ester
    • BRN 2115365
    • 2-Hydroxybenzoic acid, phenylmethyl ester
    • DTXSID1024598
    • AI3-00517
    • NSC-6647
    • Salicylic acid-benzyl ester
    • DTXCID304598
    • HSDB 8387
    • EC 204-262-9
    • 4-10-00-00157 (Beilstein Handbook Reference)
    • CAS-118-58-1
    • Benzoic acid, hydroxy-, phenylmethyl ester
    • benzyl salicilate
    • Benzyle salicylate
    • MFCD00020034
    • Benzyl salicylate, 98%
    • WLN: QR BVO1R
    • Benzyl salicylate (Standard)
    • SCHEMBL15573
    • MLS002415718
    • BIDD:ER0019
    • BENZYL SALICYLATE [MI]
    • CHEMBL460124
    • BENZYL SALICYLATE [FCC]
    • BENZYL SALICYLATE [FHFI]
    • FEMA 2151
    • HY-B1556R
    • NSC6647
    • Benzyl salicylate, >=98%, FG
    • CHEBI:165211
    • HMS2268I12
    • 2-Hydroxybenzoic Acid Benzyl Ester
    • BENZYL SALICYLATE [WHO-DD]
    • HY-B1556
    • Tox21_201869
    • Tox21_303046
    • Benzyl salicylate, analytical standard
    • AKOS015915010
    • NCGC00091411-01
    • NCGC00091411-02
    • NCGC00091411-03
    • NCGC00256928-01
    • NCGC00259418-01
    • AC-11580
    • AS-12902
    • DA-51035
    • SMR000112465
    • DB-052255
    • Benzyl salicylate, purum, >=99.0% (GC)
    • CS-0013437
    • NS00005123
    • S0009
    • G74505
    • Q416929
    • Z19703595
    • 204-262-9
    • InChI=1/C14H12O3/c15-13-9-5-4-8-12(13)14(16)17-10-11-6-2-1-3-7-11/h1-9,15H,10H

  • Applications

    Benzyl salicylate (CAS 118-58-1) is widely used as a fragrance ingredient and fixative in perfumery and cosmetic formulations; it is also employed in household products to impart a floral fragrance in cleaners and air fresheners; it finds applications in coatings and inks as a fragrance additive; and in industrial manufacturing it is used as an intermediate in fragrance synthesis and formulation development.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 275.09
    methanol 327.91
    isopropanol 164.85
    water 0.06
    ethyl acetate 430.68
    n-propanol 219.67
    acetone 485.19
    n-butanol 188.08
    acetonitrile 333.9
    DMF 649.68
    toluene 91.75
    isobutanol 124.57
    1,4-dioxane 512.84
    methyl acetate 426.93
    THF 909.98
    2-butanone 533.83
    n-pentanol 98.9
    sec-butanol 196.03
    n-hexane 1.44
    ethylene glycol 38.34
    NMP 255.3
    cyclohexane 2.66
    DMSO 951.59
    n-butyl acetate 164.1
    n-octanol 27.86
    chloroform 273.3
    n-propyl acetate 169.23
    acetic acid 193.25
    dichloromethane 225.46
    cyclohexanone 349.08
    propylene glycol 92.33
    isopropyl acetate 192.32
    DMAc 721.26
    2-ethoxyethanol 211.82
    isopentanol 143.95
    n-heptane 1.8
    ethyl formate 143.07
    1,2-dichloroethane 380.16
    n-hexanol 86.77
    2-methoxyethanol 552.66
    isobutyl acetate 90.36
    tetrachloromethane 8.09
    n-pentyl acetate 56.64
    transcutol 1055.31
    n-heptanol 36.13
    ethylbenzene 44.67
    MIBK 182.94
    2-propoxyethanol 220.61
    tert-butanol 232.36
    MTBE 187.54
    2-butoxyethanol 107.96
    propionic acid 166.41
    o-xylene 43.56
    formic acid 65.7
    diethyl ether 263.92
    m-xylene 46.66
    p-xylene 45.55
    chlorobenzene 106.95
    dimethyl carbonate 156.32
    n-octane 0.92
    formamide 284.85
    cyclopentanone 522.22
    2-pentanone 343.15
    anisole 169.54
    cyclopentyl methyl ether 211.45
    gamma-butyrolactone 555.65
    1-methoxy-2-propanol 410.17
    pyridine 395.28
    3-pentanone 237.88
    furfural 341.0
    n-dodecane 1.91
    diethylene glycol 171.55
    diisopropyl ether 39.37
    tert-amyl alcohol 203.21
    acetylacetone 400.27
    n-hexadecane 2.25
    acetophenone 142.61
    methyl propionate 340.22
    isopentyl acetate 138.54
    trichloroethylene 598.77
    n-nonanol 29.93
    cyclohexanol 121.15
    benzyl alcohol 113.95
    2-ethylhexanol 50.17
    isooctanol 34.53
    dipropyl ether 70.88
    1,2-dichlorobenzene 87.97
    ethyl lactate 84.44
    propylene carbonate 228.83
    n-methylformamide 346.81
    2-pentanol 118.13
    n-pentane 1.12
    1-propoxy-2-propanol 152.21
    1-methoxy-2-propyl acetate 196.08
    2-(2-methoxypropoxy) propanol 152.45
    mesitylene 26.75
    ε-caprolactone 271.85
    p-cymene 23.02
    epichlorohydrin 784.97
    1,1,1-trichloroethane 153.89
    2-aminoethanol 127.05
    morpholine-4-carbaldehyde 323.72
    sulfolane 546.13
    2,2,4-trimethylpentane 3.39
    2-methyltetrahydrofuran 379.58
    n-hexyl acetate 83.66
    isooctane 3.23
    2-(2-butoxyethoxy)ethanol 228.69
    sec-butyl acetate 120.24
    tert-butyl acetate 198.48
    decalin 4.67
    glycerin 122.08
    diglyme 449.51
    acrylic acid 136.93
    isopropyl myristate 39.71
    n-butyric acid 228.99
    acetyl acetate 177.55
    di(2-ethylhexyl) phthalate 34.51
    ethyl propionate 164.37
    nitromethane 682.78
    1,2-diethoxyethane 209.73
    benzonitrile 133.2
    trioctyl phosphate 24.83
    1-bromopropane 106.61
    gamma-valerolactone 515.24
    n-decanol 24.32
    triethyl phosphate 53.3
    4-methyl-2-pentanol 66.57
    propionitrile 241.05
    vinylene carbonate 188.7
    1,1,2-trichlorotrifluoroethane 311.91
    DMS 120.84
    cumene 26.38
    2-octanol 20.97
    2-hexanone 169.17
    octyl acetate 47.11
    limonene 32.32
    1,2-dimethoxyethane 418.91
    ethyl orthosilicate 47.79
    tributyl phosphate 34.75
    diacetone alcohol 267.28
    N,N-dimethylaniline 74.11
    acrylonitrile 330.31
    aniline 141.78
    1,3-propanediol 224.86
    bromobenzene 93.36
    dibromomethane 126.73
    1,1,2,2-tetrachloroethane 512.42
    2-methyl-cyclohexyl acetate 75.69
    tetrabutyl urea 48.51
    diisobutyl methanol 35.68
    2-phenylethanol 94.18
    styrene 64.54
    dioctyl adipate 65.34
    dimethyl sulfate 223.25
    ethyl butyrate 122.6
    methyl lactate 153.39
    butyl lactate 63.07
    diethyl carbonate 83.21
    propanediol butyl ether 102.13
    triethyl orthoformate 74.65
    p-tert-butyltoluene 22.92
    methyl 4-tert-butylbenzoate 95.16
    morpholine 655.0
    tert-butylamine 85.46
    n-dodecanol 19.54
    dimethoxymethane 520.85
    ethylene carbonate 156.87
    cyrene 114.03
    2-ethoxyethyl acetate 121.57
    2-ethylhexyl acetate 92.24
    1,2,4-trichlorobenzene 113.37
    4-methylpyridine 286.32
    dibutyl ether 53.89
    2,6-dimethyl-4-heptanol 35.68
    DEF 340.12
    dimethyl isosorbide 224.0
    tetrachloroethylene 192.8
    eugenol 97.79
    triacetin 108.46
    span 80 87.32
    1,4-butanediol 47.92
    1,1-dichloroethane 214.75
    2-methyl-1-pentanol 96.02
    methyl formate 215.07
    2-methyl-1-butanol 139.18
    n-decane 2.5
    butyronitrile 194.62
    3,7-dimethyl-1-octanol 44.26
    1-chlorooctane 17.95
    1-chlorotetradecane 8.77
    n-nonane 1.87
    undecane 2.16
    tert-butylcyclohexane 4.85
    cyclooctane 0.97
    cyclopentanol 120.84
    tetrahydropyran 406.62
    tert-amyl methyl ether 143.48
    2,5,8-trioxanonane 305.52
    1-hexene 20.24
    2-isopropoxyethanol 141.44
    2,2,2-trifluoroethanol 56.0
    methyl butyrate 204.79

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 1.3 % Category 7A
Rinse-off products applied to the hair with some hand contact
 15 %
Category 2
Products applied to the axillae
 0.39 % Category 7B
Leave-on products applied to the hair with some hand contact
 15 %
Category 3
Products applied to the face/body using fingertips
 7.8 % Category 8
Products with significant anogenital exposure
 0.77 %
Category 4
Products related to fine fragrance
 7.3 % Category 9
Products with body and hand exposure, primarily rinse off
 14 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 1.9 % Category 10A
Household care products with mostly hand contact
 51 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 1.9 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 51 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 1.9 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 28 %
Category 5D
Baby Creams, baby Oils and baby talc
 1.9 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 28 %
Category 6
Products with oral and lip exposure
 4.3 % Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Basil (Comoro Islands) 1 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.2%
Easter Lily, Living Flower Headspace Lilium candidum L., fam. Liliaceae 3.1%
Easter Lily, Picked Flower Headspace A Lilium candidum L., fam. Liliaceae 1.0%
Easter Lily, Picked Flower Headspace B Lilium candidum L., fam. Liliaceae 0.05%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 0.34%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.01%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.34%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.01%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 0.05%
Diospyros discolor, fruit peel Diospyros discolor Willd., Ebenaceae (D. blancoi), fam. Ebenaceae 26.9%
Ylang Ylang 2a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 1.9%
Ylang Ylang 2b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 5.2%
Ylang Ylang 2c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 4.9%
Ylang Ylang 3 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 3.0%
Genet absolute 2 8023-80-1 Spartium junceum L., fam. Leguminosae (Papilionaceae) 0.01%
Daphne tangutica flower concrete (China) Daphne tangutica Maxim., fam. Thymelaeaceae 4.06%
Clerodendrum fragrans flower (China) Clerodendrum fragrans Vent., fam. Verbenaceae 0.26%
Ylang Ylang (China) 3 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.25%
Ylang Ylang (Laos) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 0.28%
Ylang Ylang 5a 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.37%
Ylang Ylang (Colombia) 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 1.0%
Ylang Ylang 5b 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonacaea 2.63%
Ylang Ylang 5c 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 3.05%
Ylang Ylang 5d 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 2.81%
Alseuosmia macrophylla Alseuosmia macrophylla A. Cunn, fam. Alseuosmiaceae 9.4%
Fagraea berteriana flower Fagraea berteriana A. Gray ex Benth., fam. Potaliaceae 3.56%
Honeysuckle, japanese Lonicera japonica L., fam. Caprifoliaceae 0.01%
Jasmine rose absolute (India) Gardenia jasminoides Ellis, fam. Rubiaceae 0.48%
Jasmine (China) 2b (absolute) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.15%
Narcissus tazetta (var. chinensis) 8023-75-4 Narcissus tazetta L., var. chinensis, fam. Amaryllidaceae 0.17%
Tulip sylvestre Tulipa sylvestris L., fam. Liliaceae 0.01%
Tulip sylvestre headspace cv. "Lack van Rijn" Tulipa sylvestris L. cultivar "Lack van Rijn", fam. Liliaceae 0.01%
Cinnamomum cordatum (Malaysia) 1a leaf Cinnamomum cordatum Kosterm., fam. Lauraceae 4.7%
Pinus sylvestris 8 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.05%
Pinus sylvestris (Lithuania) 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.05%
Desmos goezeanus leaf (Australia) Desmos goezeanus (F. Muell.) L.W. Jessup, fam. Annonaceae 30.25%
Aniba riparia (Brazil) 1a leaf Aniba riparia (Nees) Mez, fam. Lauraceae 2.1%
Aniba riparia (Brazil) 1b branch Aniba riparia (Nees) Mez, fam. Lauraceae 9.5%
Aniba riparia (Brazil) 1c bark wood Aniba riparia (Nees) Mez, fam. Lauraceae 7.9%
Aniba riparia (Brazil) 1d trunk wood Aniba riparia (Nees) Mez, fam. Lauraceae 7.7%
Pinus canariensis (Spain-Tenerife) Pinus canariensis Sweet ex Sprengel, fam. Pinaceae 0.01%