Benzyl Benzoate

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  • Identifiers

    CAS number
    120-51-4

    Molecular formula
    C14H12O2

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

    Safety labels

    Irritant
    Irritant

    Environmental Hazard
    Environmental

    Retention indicies (RI)

    • DB5: 1761.14
    • Carbowax: 2598.71

  • Odor profile

    Balsamic 81.65%
    Fruity 72.54%
    Sweet 66.0%
    Herbal 58.8%
    Floral 52.93%
    Green 42.2%
    Spicy 39.9%
    Rose 39.73%
    Cherry 38.25%
    Oily 38.09%

    Scent© AI

  • Properties

    XLogP3-AA
    4.0

    Molecular weight
    212.24 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Melting point expt.

    • 21 °C
    • 19 °C

    Boiling point

    • 323.5 °C
    • 321.3 °C
    • BP: 323-324 °C
    • 323.00 to 324.00 °C. @ 760.00 mm Hg
    • 324 °C

    Flash point est.
    150.4 ˚C

    Flash point expt.

    • 148 °C
    • 158 °C (316 °F) - closed cup
    • 298 °F (148 °C) - closed cup

    Solubility expt.

    • 15.4 mg/L
    • Insoluble in water
    • Insoluble in glycerol; miscible with alcohol, chloroform, ether, oils
    • Soluble in ethanol, ethyl ether, acetone, benzene, methanol, chloroform
    • 1.98e-02 g/L
    • Solubility in water: none
    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • BENZYL BENZOATE
    • 120-51-4
    • Benzoic acid, phenylmethyl ester
    • Ascabiol
    • Benylate
    • Benzoic acid benzyl ester
    • Scabiozon
    • Benzoic acid, benzyl ester
    • Novoscabin
    • Scabitox
    • Scobenol
    • Phenylmethyl benzoate
    • Ascabin
    • Scabagen
    • Benzyl phenylformate
    • Benzylets
    • Colebenz
    • Peruscabin
    • Scabanca
    • Scabide
    • Vanzoate
    • Benzyl benzenecarboxylate
    • benzylbenzoate
    • Antiscabiosum
    • Venzonate
    • Benzylis benzoas
    • Peruscabina
    • Benzylbenzenecarboxylate
    • Benzyl alcohol benzoic ester
    • Benzylum benzoicum
    • BENZYL-D5 BENZOATE
    • Benzoesaeurebenzylester
    • FEMA Number 2138
    • Benzyl benzoate (natural)
    • Benzylester kyseliny benzoove
    • NSC 8081
    • BENZOIC ACID PHENYLMETHYLESTER
    • Acarobenzyl
    • FEMA No. 2138
    • Benzevan
    • HSDB 208
    • NSC-8081
    • EINECS 204-402-9
    • EPA Pesticide Chemical Code 009501
    • UNII-N863NB338G
    • BRN 2049280
    • DTXSID8029153
    • CHEBI:41237
    • AI3-00523
    • N863NB338G
    • 347840-01-1
    • MFCD00003075
    • Benzyl benzoate [USP:JAN]
    • CHEMBL1239
    • BENZYLOXY PHENYL KETONE
    • DTXCID809153
    • EC 204-402-9
    • 4-09-00-00307 (Beilstein Handbook Reference)
    • NCGC00094981-03
    • Benzyl benzoate (USP:JAN)
    • BENZYL BENZOATE (II)
    • BENZYL BENZOATE [II]
    • BENZYL BENZOATE (MART.)
    • BENZYL BENZOATE [MART.]
    • Caswell No. 082
    • BENZYL BENZOATE (USP-RS)
    • BENZYL BENZOATE [USP-RS]
    • Acarosan
    • Venzoate
    • BENZYL BENZOATE (EP IMPURITY)
    • BENZYL BENZOATE [EP IMPURITY]
    • BENZYL BENZOATE (EP MONOGRAPH)
    • BENZYL BENZOATE (USP IMPURITY)
    • BENZYL BENZOATE [EP MONOGRAPH]
    • BENZYL BENZOATE [USP IMPURITY]
    • BENZYL BENZOATE (USP MONOGRAPH)
    • BENZYL BENZOATE [USP MONOGRAPH]
    • Benzoate de benzyle
    • BZM
    • CAS-120-51-4
    • SMR000471875
    • Benzylester kyseliny benzoove [Czech]
    • Bengal
    • benzyl-benzoate
    • Benzyl benzoat
    • 1dzm
    • Benylate (TN)
    • Benzoesaurebenzylester
    • Spectrum_001240
    • Benzoic acid-benzyl ester
    • Spectrum2_000532
    • Spectrum3_001757
    • Spectrum4_000773
    • Spectrum5_001128
    • WLN: RVO1R
    • Benzyl benzoate (Standard)
    • Benzyl benzoate, >=99%
    • SCHEMBL3038
    • BENZYL BENZOATE [MI]
    • BSPBio_003494
    • KBioGR_001186
    • KBioSS_001720
    • MLS001066412
    • MLS001336003
    • MLS001336004
    • BENZYL BENZOATE [FCC]
    • BENZYL BENZOATE [JAN]
    • DivK1c_000204
    • SPECTRUM1503002
    • SPBio_000543
    • Benzyl benzoate (JP17/USP)
    • BENZYL BENZOATE [FHFI]
    • BENZYL BENZOATE [HSDB]
    • BENZOIC ACID,BENZYL ESTER
    • HMS500K06
    • HY-B0935R
    • KBio1_000204
    • KBio2_001720
    • KBio2_004288
    • KBio2_006856
    • KBio3_002714
    • BENZYL BENZOATE [WHO-DD]
    • BENZYL BENZOATE [WHO-IP]
    • NSC8081
    • NINDS_000204
    • HMS1921P16
    • HMS2092F20
    • HMS2269D24

  • Applications

    Benzyl benzoate (CAS 120-51-4) is a versatile aromatic ester widely employed as a topical drug for scabies and pediculosis due to its potent acaricidal and insecticidal action, while also serving as a medium-polarity solvent for alkyd resins, nitrocellulose and synthetic polymers, functioning as a plasticizer that enhances flexibility and gloss in PVC and cellulose acetate, acting as a fragrance fixative and carrier in perfumery and cosmetics by retarding evaporation, moreover finding use in veterinary formulations, wood coatings, printing inks, specialty lubricants, flavoring additive in foods, mosquito-repellent finishing for textiles, and as a processing aid in rubber manufacture to lower compounding viscosity.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 71.06
    methanol 89.13
    isopropanol 32.5
    water 0.23
    ethyl acetate 293.98
    n-propanol 55.5
    acetone 168.53
    n-butanol 53.18
    acetonitrile 234.59
    DMF 316.65
    toluene 107.35
    isobutanol 38.89
    1,4-dioxane 290.31
    methyl acetate 261.73
    THF 288.53
    2-butanone 244.25
    n-pentanol 50.43
    sec-butanol 50.52
    n-hexane 8.1
    ethylene glycol 14.35
    NMP 148.69
    cyclohexane 10.83
    DMSO 167.43
    n-butyl acetate 186.54
    n-octanol 44.01
    chloroform 608.27
    n-propyl acetate 203.58
    acetic acid 167.64
    dichloromethane 623.47
    cyclohexanone 259.09
    propylene glycol 20.41
    isopropyl acetate 166.73
    DMAc 434.78
    2-ethoxyethanol 120.67
    isopentanol 67.07
    n-heptane 8.44
    ethyl formate 142.89
    1,2-dichloroethane 607.3
    n-hexanol 65.21
    2-methoxyethanol 183.08
    isobutyl acetate 127.54
    tetrachloromethane 22.29
    n-pentyl acetate 100.38
    transcutol 1166.79
    n-heptanol 41.79
    ethylbenzene 105.35
    MIBK 146.97
    2-propoxyethanol 141.71
    tert-butanol 61.12
    MTBE 105.83
    2-butoxyethanol 108.4
    propionic acid 113.42
    o-xylene 76.87
    formic acid 51.21
    diethyl ether 176.69
    m-xylene 69.9
    p-xylene 100.71
    chlorobenzene 228.7
    dimethyl carbonate 133.88
    n-octane 5.22
    formamide 170.35
    cyclopentanone 253.34
    2-pentanone 190.88
    anisole 266.82
    cyclopentyl methyl ether 109.54
    gamma-butyrolactone 347.59
    1-methoxy-2-propanol 130.14
    pyridine 457.35
    3-pentanone 174.41
    furfural 407.34
    n-dodecane 5.22
    diethylene glycol 88.28
    diisopropyl ether 46.57
    tert-amyl alcohol 75.32
    acetylacetone 272.5
    n-hexadecane 6.15
    acetophenone 247.84
    methyl propionate 216.52
    isopentyl acetate 183.02
    trichloroethylene 1126.87
    n-nonanol 44.22
    cyclohexanol 50.81
    benzyl alcohol 119.4
    2-ethylhexanol 57.08
    isooctanol 42.31
    dipropyl ether 93.76
    1,2-dichlorobenzene 250.3
    ethyl lactate 77.28
    propylene carbonate 246.38
    n-methylformamide 167.24
    2-pentanol 45.06
    n-pentane 4.72
    1-propoxy-2-propanol 107.95
    1-methoxy-2-propyl acetate 191.39
    2-(2-methoxypropoxy) propanol 164.94
    mesitylene 49.0
    ε-caprolactone 254.4
    p-cymene 49.25
    epichlorohydrin 603.29
    1,1,1-trichloroethane 276.52
    2-aminoethanol 39.17
    morpholine-4-carbaldehyde 263.26
    sulfolane 288.37
    2,2,4-trimethylpentane 6.54
    2-methyltetrahydrofuran 158.38
    n-hexyl acetate 147.31
    isooctane 5.58
    2-(2-butoxyethoxy)ethanol 230.39
    sec-butyl acetate 155.56
    tert-butyl acetate 173.01
    decalin 14.95
    glycerin 36.79
    diglyme 563.77
    acrylic acid 119.25
    isopropyl myristate 60.9
    n-butyric acid 169.07
    acetyl acetate 195.36
    di(2-ethylhexyl) phthalate 51.57
    ethyl propionate 203.72
    nitromethane 493.66
    1,2-diethoxyethane 306.12
    benzonitrile 207.05
    trioctyl phosphate 33.19
    1-bromopropane 184.38
    gamma-valerolactone 376.18
    n-decanol 33.72
    triethyl phosphate 74.9
    4-methyl-2-pentanol 43.38
    propionitrile 192.82
    vinylene carbonate 279.23
    1,1,2-trichlorotrifluoroethane 267.67
    DMS 181.78
    cumene 62.37
    2-octanol 29.88
    2-hexanone 174.2
    octyl acetate 72.67
    limonene 58.81
    1,2-dimethoxyethane 343.7
    ethyl orthosilicate 68.59
    tributyl phosphate 52.75
    diacetone alcohol 159.55
    N,N-dimethylaniline 130.05
    acrylonitrile 318.3
    aniline 121.05
    1,3-propanediol 63.97
    bromobenzene 244.64
    dibromomethane 354.5
    1,1,2,2-tetrachloroethane 804.52
    2-methyl-cyclohexyl acetate 121.75
    tetrabutyl urea 68.73
    diisobutyl methanol 44.0
    2-phenylethanol 115.06
    styrene 146.13
    dioctyl adipate 102.66
    dimethyl sulfate 163.98
    ethyl butyrate 180.06
    methyl lactate 89.54
    butyl lactate 82.23
    diethyl carbonate 137.96
    propanediol butyl ether 93.25
    triethyl orthoformate 109.18
    p-tert-butyltoluene 42.47
    methyl 4-tert-butylbenzoate 146.08
    morpholine 258.08
    tert-butylamine 39.64
    n-dodecanol 26.82
    dimethoxymethane 249.84
    ethylene carbonate 198.11
    cyrene 108.76
    2-ethoxyethyl acetate 185.95
    2-ethylhexyl acetate 139.04
    1,2,4-trichlorobenzene 253.27
    4-methylpyridine 301.98
    dibutyl ether 109.46
    2,6-dimethyl-4-heptanol 44.0
    DEF 269.18
    dimethyl isosorbide 261.31
    tetrachloroethylene 393.01
    eugenol 145.05
    triacetin 178.78
    span 80 99.32
    1,4-butanediol 22.97
    1,1-dichloroethane 319.29
    2-methyl-1-pentanol 69.06
    methyl formate 139.38
    2-methyl-1-butanol 56.83
    n-decane 8.28
    butyronitrile 159.79
    3,7-dimethyl-1-octanol 59.14
    1-chlorooctane 46.27
    1-chlorotetradecane 18.66
    n-nonane 7.21
    undecane 6.35
    tert-butylcyclohexane 13.88
    cyclooctane 4.57
    cyclopentanol 37.26
    tetrahydropyran 193.11
    tert-amyl methyl ether 99.08
    2,5,8-trioxanonane 341.92
    1-hexene 50.72
    2-isopropoxyethanol 93.04
    2,2,2-trifluoroethanol 57.5
    methyl butyrate 248.37

    Scent© AI

1 4

IFRA standard 51

Recommendation
Restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 1.7 % Category 7A
Rinse-off products applied to the hair with some hand contact
 0.41 %
Category 2
Products applied to the axillae
 1.4 % Category 7B
Leave-on products applied to the hair with some hand contact
 0.41 %
Category 3
Products applied to the face/body using fingertips
 0.41 % Category 8
Products with significant anogenital exposure
 0.07 %
Category 4
Products related to fine fragrance
 4.8 % Category 9
Products with body and hand exposure, primarily rinse off
 1.9 %
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 4.3 % Category 10A
Household care products with mostly hand contact
 1.9 %
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 0.21 % Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 12 %
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 0.83 % Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 0.07 %
Category 5D
Baby Creams, baby Oils and baby talc
 0.07 % Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 0.07 %
Category 6
Products with oral and lip exposure
 0.41 % 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) 0.3%
Basil (Fiji) 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.05%
Basil (Finland) 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.1%
Basil 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.17%
Boldo leaf Boldea fragrans Juss. (Peumus boldus Mol.) 0.4%
Cabreuva balsam Myroxylon peruiferum L. F., fam. Leguminosae (Papillionaceae) 59.0%
Ylang Ylang (Fiji) 68606-83-7 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 12.0%
Cassia, branch & leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.07%
Cassia, bark (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.14%
Cassia, leaf (Australia) 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.37%
Cassie absolute (blossom) 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.05%
Cinnamon bark 2a 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 1.36%
Cinnamon bark 2b 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 0.93%
Cinnamon leaf 1 8007-80-5 Cinnamomum zeylanicum Blume (C. verum L. Presl), fam. Lauraceae 2.67%
Easter Lily, Living Flower Headspace Lilium candidum L., fam. Liliaceae 8.2%
Jasmine absolute 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 9.5%
Jasmine sambac (China) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 2.0%
Jasmine sambac (Malati) concrete Jasminum sambac (L.) Aiton, fam. Oleaceae 0.5%
Jasmine sambac (Sampaquita) concrete Jasminum sambac (L.) Aiton (Sampaquita), fam. Oleaceae 0.5%
Massoia bark Cryptocaryo massoia, fam. Lauraceae 8.07%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 8.9%
Narcissus tazetta absolute 3 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 2.5%
Parsley absolute (Egypt) 8000-68-8 Petroselinum crispum (Miller) A.W. Hill (P. sativum Hoffm.), fam. Apiaceae 0.14%
Pinus pinaster (Portugal) 2 needle 8000-26-8 Pinus pinaster Ait., fam. Pinaceae 0.11%
Pinus sylvestris 7 8023-99-2 Pinus sylvestris L. (Scotch pine), fam. Pinaceae 0.31%
Sequoia leaf 1 Sequoiadendron giganteum Buchh., fam. Taxodiaceae 0.01%
Wormwood (Mugwort) (Spain) 1 8008-93-3 Artemisia absinthium L., fam. Asteraceae (Compositae) 0.2%
Ylang Ylang 4 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 7.37%
Ylang Ylang (China) 1 8006-81-3 Cananga odorata (Lamk.) Hook. f. et Thomson forma genuina, fam. Annonaceae 5.33%
Rosa rugosa Rosa rugosa Thunb., var. plena Regel, fam. Rosaceae 0.04%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 79.43%
Jasmine absolute (India) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 26.2%
Jasmine oil (India) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 20.0%
Hedychium coronarium flower (Japan) Hedychium coronarium Koenig, fam. Zingiberaceae 1.89%
Daphne genkwa Daphne genkwa Sieb. et Zucc., fam. Thymelaeaceae 1.0%
Narcissus poeticus absolute 8023-75-4 Narcissus poeticus L., fam. Amaryllidaceae 19.4%
Jasmine absolute (Algeria) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 12.0%
Jasmine absolute (Egypt) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 11.68%
Jasmine absolute (France) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 14.55%
Jasmine absolute (Italy) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 14.76%
Jasmine oil (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 0.82%
Jasmine absolute (Turkey) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.83%
Jasmine absolute (France) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 1.08%
Jasmine absolute (Italy) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 3.55%
Jasmine absolute (India) 1 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.53%
Jasmine absolute (Morocco) 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.35%
Jasmine absolute (Egypt) 2 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 2.84%
Jasmine absolute (Egypt) 3 8022-96-6 Jasminum officinale var. grandiflorum L., fam. Oleaceae 16.0%
Clove leaf (Indonesia) 1 8000-34-8 Eugenia caryophyllus (Spreng.) Bullock & Harrison, fam. Myrtaceae 0.05%