Benzyl formate

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  • Identifiers

    CAS number
    104-57-4

    Molecular formula
    C8H8O2

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

    Safety labels

    Irritant
    Irritant

    Retention indicies (RI)

    • DB5: 1076.0
    • Carbowax: 1673.0

  • Odor profile

    Fruity 86.82%
    Floral 78.83%
    Sweet 59.64%
    Green 57.72%
    Cherry 52.81%
    Almond 48.47%
    Spicy 45.7%
    Balsamic 45.29%
    Herbal 42.77%
    Fresh 41.65%

    Scent© AI

  • Properties

    XLogP3-AA
    1.6

    Molecular weight
    136.15 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point

    • 202.00 to 203.00 °C. @ 760.00 mm Hg

    Flash point est.
    85.49 ˚C

    Solubility expt.

    • insoluble in water; soluble in organic solvents, oils
    • miscible at room temperature (in ethanol)

  • Synonyms

    • Benzyl formate
    • 104-57-4
    • Benzyl methanoate
    • Formic acid, phenylmethyl ester
    • Phenylmethyl formate
    • Benzyl alcohol, formate
    • Formic acid, benzyl ester
    • Benzyl formiat
    • FORMIC ACID BENZYL ESTER
    • Ameisensaeurebenzylester
    • Benzylester kyseliny mravenci
    • FEMA No. 2145
    • Carbobenzoxy Group
    • NSC 8049
    • EINECS 203-214-4
    • UNII-79GJF97O0Y
    • Benzylester kyseliny mravenci [Czech]
    • BRN 2041319
    • 79GJF97O0Y
    • AI3-02951
    • Formic acid-benzyl ester
    • NSC-8049
    • MFCD00014128
    • BENZYL FORMATE [MI]
    • BENZYL FORMATE [FCC]
    • BENZYL FORMATE [FHFI]
    • DTXSID5059298
    • FEMA 2145
    • 4-06-00-02262 (Beilstein Handbook Reference)
    • Benzyl formic acid
    • Formate benzyl ester
    • (phenylmethyl) methanoate
    • carbanic acid benzyl ester
    • SCHEMBL503
    • WLN: VHO1R
    • CHEBI:3057
    • DTXCID7032846
    • formic acid (phenylmethyl) ester
    • NSC8049
    • Benzyl formate, analytical standard
    • Benzyl formate, natural, 97%, FG
    • Benzyl formate, >=95%, FCC, FG
    • AKOS015964923
    • DB04569
    • DS-6364
    • BZO
    • SY050090
    • CS-0128265
    • F0050
    • NS00012002
    • C05613
    • D70183
    • A801004
    • Q4083784
    • 203-214-4
    • Formic acid, benzyl ester (6CI,7CI,8CI); Benzyl alcohol, formate; Benzyl formate; Benzyl methanoate; NSC 8049

  • Applications

    Benzyl formate (CAS 104-57-4) is a sweet, fruity-floral aromatic ester used primarily as a fragrance ingredient and flavoring agent: in fine fragrances, air care, scented candles, soaps, shampoos and household cleaners it imparts soft white-floral and fruity nuances that round and modify accords; in foods and beverages at very low levels it contributes sweet, honeyed, fruity notes to confectionery, baked goods and soft drinks; it is also employed as an intermediate/building block for benzyl-derived odorants and as a masking or odor-modifying component in home and fabric care, valued for moderate volatility and good blendability; use levels should follow IFRA guidance/local regulations and standard safety practices due to irritation and flammability potential.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 897.19
    methanol 1032.15
    isopropanol 483.72
    water 2.19
    ethyl acetate 1339.26
    n-propanol 558.54
    acetone 1778.43
    n-butanol 414.63
    acetonitrile 1191.94
    DMF 2036.01
    toluene 254.91
    isobutanol 334.01
    1,4-dioxane 955.1
    methyl acetate 1300.1
    THF 1124.94
    2-butanone 1300.17
    n-pentanol 267.74
    sec-butanol 406.11
    n-hexane 12.07
    ethylene glycol 265.55
    NMP 1461.71
    cyclohexane 23.27
    DMSO 3395.41
    n-butyl acetate 550.32
    n-octanol 95.02
    chloroform 922.48
    n-propyl acetate 633.59
    acetic acid 1042.45
    dichloromethane 1649.82
    cyclohexanone 1010.48
    propylene glycol 260.68
    isopropyl acetate 437.68
    DMAc 1134.44
    2-ethoxyethanol 697.99
    isopentanol 344.48
    n-heptane 17.97
    ethyl formate 683.05
    1,2-dichloroethane 1488.1
    n-hexanol 237.95
    2-methoxyethanol 1281.37
    isobutyl acetate 243.75
    tetrachloromethane 99.03
    n-pentyl acetate 184.5
    transcutol 2851.73
    n-heptanol 85.92
    ethylbenzene 143.36
    MIBK 373.79
    2-propoxyethanol 505.23
    tert-butanol 481.04
    MTBE 364.06
    2-butoxyethanol 261.87
    propionic acid 779.15
    o-xylene 175.63
    formic acid 545.37
    diethyl ether 521.56
    m-xylene 164.1
    p-xylene 153.78
    chlorobenzene 430.79
    dimethyl carbonate 434.62
    n-octane 5.1
    formamide 1663.45
    cyclopentanone 1508.95
    2-pentanone 925.61
    anisole 477.75
    cyclopentyl methyl ether 525.18
    gamma-butyrolactone 1861.17
    1-methoxy-2-propanol 672.57
    pyridine 1176.2
    3-pentanone 611.96
    furfural 1441.65
    n-dodecane 4.44
    diethylene glycol 431.3
    diisopropyl ether 95.53
    tert-amyl alcohol 409.9
    acetylacetone 961.26
    n-hexadecane 5.23
    acetophenone 466.19
    methyl propionate 1052.82
    isopentyl acetate 377.08
    trichloroethylene 2495.31
    n-nonanol 78.58
    cyclohexanol 317.44
    benzyl alcohol 332.3
    2-ethylhexanol 149.03
    isooctanol 73.08
    dipropyl ether 206.46
    1,2-dichlorobenzene 375.69
    ethyl lactate 224.17
    propylene carbonate 802.54
    n-methylformamide 1626.63
    2-pentanol 281.61
    n-pentane 13.56
    1-propoxy-2-propanol 330.46
    1-methoxy-2-propyl acetate 452.82
    2-(2-methoxypropoxy) propanol 283.67
    mesitylene 89.88
    ε-caprolactone 879.6
    p-cymene 78.21
    epichlorohydrin 2268.13
    1,1,1-trichloroethane 674.23
    2-aminoethanol 482.07
    morpholine-4-carbaldehyde 1264.44
    sulfolane 1952.24
    2,2,4-trimethylpentane 11.77
    2-methyltetrahydrofuran 993.04
    n-hexyl acetate 269.83
    isooctane 8.75
    2-(2-butoxyethoxy)ethanol 444.4
    sec-butyl acetate 317.03
    tert-butyl acetate 393.54
    decalin 18.69
    glycerin 345.0
    diglyme 1020.37
    acrylic acid 742.58
    isopropyl myristate 80.47
    n-butyric acid 806.57
    acetyl acetate 521.07
    di(2-ethylhexyl) phthalate 84.31
    ethyl propionate 512.49
    nitromethane 3359.85
    1,2-diethoxyethane 517.22
    benzonitrile 437.62
    trioctyl phosphate 57.14
    1-bromopropane 397.6
    gamma-valerolactone 1538.25
    n-decanol 56.66
    triethyl phosphate 131.9
    4-methyl-2-pentanol 126.2
    propionitrile 635.49
    vinylene carbonate 650.79
    1,1,2-trichlorotrifluoroethane 1100.36
    DMS 371.46
    cumene 83.77
    2-octanol 53.8
    2-hexanone 499.38
    octyl acetate 108.81
    limonene 116.45
    1,2-dimethoxyethane 951.45
    ethyl orthosilicate 116.92
    tributyl phosphate 86.12
    diacetone alcohol 549.42
    N,N-dimethylaniline 239.35
    acrylonitrile 1024.1
    aniline 472.83
    1,3-propanediol 573.97
    bromobenzene 398.05
    dibromomethane 800.31
    1,1,2,2-tetrachloroethane 1467.58
    2-methyl-cyclohexyl acetate 203.93
    tetrabutyl urea 121.54
    diisobutyl methanol 82.2
    2-phenylethanol 249.22
    styrene 211.25
    dioctyl adipate 153.44
    dimethyl sulfate 671.25
    ethyl butyrate 382.21
    methyl lactate 342.74
    butyl lactate 173.1
    diethyl carbonate 247.67
    propanediol butyl ether 288.48
    triethyl orthoformate 189.38
    p-tert-butyltoluene 67.69
    methyl 4-tert-butylbenzoate 224.92
    morpholine 1302.34
    tert-butylamine 230.09
    n-dodecanol 41.38
    dimethoxymethane 895.35
    ethylene carbonate 502.08
    cyrene 266.94
    2-ethoxyethyl acetate 389.87
    2-ethylhexyl acetate 286.49
    1,2,4-trichlorobenzene 456.39
    4-methylpyridine 954.4
    dibutyl ether 136.63
    2,6-dimethyl-4-heptanol 82.2
    DEF 1052.93
    dimethyl isosorbide 475.49
    tetrachloroethylene 887.08
    eugenol 227.02
    triacetin 336.26
    span 80 193.28
    1,4-butanediol 202.71
    1,1-dichloroethane 934.12
    2-methyl-1-pentanol 242.82
    methyl formate 1106.85
    2-methyl-1-butanol 339.95
    n-decane 7.52
    butyronitrile 508.53
    3,7-dimethyl-1-octanol 112.25
    1-chlorooctane 60.29
    1-chlorotetradecane 19.26
    n-nonane 7.28
    undecane 5.65
    tert-butylcyclohexane 16.83
    cyclooctane 9.05
    cyclopentanol 404.26
    tetrahydropyran 764.18
    tert-amyl methyl ether 285.99
    2,5,8-trioxanonane 548.63
    1-hexene 89.98
    2-isopropoxyethanol 418.47
    2,2,2-trifluoroethanol 411.91
    methyl butyrate 720.09

    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
Basil 2 8015-73-4 Ocimum basilicum L., fam. Lamiaceae (Labiatae) 0.18%
Narcissus tazetta absolute 2 8023-75-4 Narcissus tazetta L., fam. Amaryllidaceae 0.1%
Apple flower Malus arnoldiana (Rehd) Sarg. var. Redgold, fam. Rosaceae 0.01%
Jonquil (Japan) 8023-75-4 Narcissus jonquilla L., fam. Amaryllidaceae 0.01%
Narcissus (Japan) 1a 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amarillidaceae 0.01%
Narcissus (Japan) 1b 8023-75-4 Narcissus tazetta L. (N. poeticus L.), fam. Amaryllidaceae 0.03%
Osmanthus concentrate 1 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.04%
Osmanthus concentrate 2 (Sukhumi-Abkhasia) 68917-05-5 Osmanthus fragrans (Thunb.) Lour., fam. Oleaceae 0.02%
Michelia alba flower headspace (China) Michelia alba DC., fam. Magnoliaceae 0.11%
Michelia yunnanensis flower headspace (China) Michelia yunnanensis Franch. ex Finet et Gagnep., fam. Magnoliaceae 0.1%
Aerangis brachycarpa flower headspace Aerangis brachycarpa Rchb. f., fam. Orchidaceae 0.05%
Acacia praecox flower (Argentina) Acacia praecox Gris., fam. Mimosaceae (Leguminosae) 1.2%
Solanum stuckertii flower Solanum stuckertii Bitter, fam. Solanaceae 1.82%
Solanum incisum flower Solanum incisum Griseb., fam. Solanaceae 0.44%
Cassia, bark (China) 5 8007-80-5 Cinnamomum cassia Blume, fam. Lauraceae 0.08%
Cassie absolute 1a extract 8023-82-3 Acacia farnesiana (L.) Willd., fam. Mimosaceae (Leguminosae) 0.5%