Benzoic acid, 2-methylene-3-butenyl ester
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Identifiers
Molecular formula
C12H12O2SMILES
C=CC(=C)COC(=O)C1=CC=CC=C1
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Odor profile
Herbal 50.44% Fruity 48.69% Sweet 45.76% Green 43.94% Spicy 43.38% Floral 39.92% Balsamic 37.89% Mint 32.34% Warm 31.24% Pungent 28.05% Scent© AI
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Properties
XLogP3-AA
3.5Molecular weight
188.22 g/molVapor pressure est.
- hPa @ 20°C
- hPa @ 25°C
Evaporation rate
SlowBoiling point est.
266°CFlash point est.
117.42 ˚C -
Synonyms
- LSTOFPNFEYBVLB-UHFFFAOYSA-N
- 2-Methylene-3-butenyl benzoate #
- Benzoic acid, 2-methylene-3-butenyl ester
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 239.2 methanol 265.77 isopropanol 121.3 water 0.12 ethyl acetate 591.82 n-propanol 200.31 acetone 187.28 n-butanol 196.08 acetonitrile 379.01 DMF 237.82 toluene 287.29 isobutanol 132.15 1,4-dioxane 474.76 methyl acetate 482.64 THF 374.39 2-butanone 442.94 n-pentanol 154.93 sec-butanol 228.28 n-hexane 16.53 ethylene glycol 19.73 NMP 134.65 cyclohexane 25.45 DMSO 133.76 n-butyl acetate 324.41 n-octanol 87.44 chloroform 648.81 n-propyl acetate 304.06 acetic acid 218.47 dichloromethane 571.13 cyclohexanone 308.76 propylene glycol 41.33 isopropyl acetate 271.05 DMAc 445.88 2-ethoxyethanol 235.74 isopentanol 206.41 n-heptane 11.27 ethyl formate 175.57 1,2-dichloroethane 514.49 n-hexanol 174.32 2-methoxyethanol 304.53 isobutyl acetate 182.86 tetrachloromethane 30.55 n-pentyl acetate 142.8 transcutol 1392.1 n-heptanol 83.64 ethylbenzene 191.3 MIBK 214.56 2-propoxyethanol 246.29 tert-butanol 197.56 MTBE 322.3 2-butoxyethanol 162.33 propionic acid 166.16 o-xylene 144.55 formic acid 56.2 diethyl ether 451.17 m-xylene 146.63 p-xylene 182.79 chlorobenzene 257.28 dimethyl carbonate 122.21 n-octane 7.7 formamide 143.1 cyclopentanone 245.95 2-pentanone 313.63 anisole 364.44 cyclopentyl methyl ether 186.71 gamma-butyrolactone 296.36 1-methoxy-2-propanol 232.32 pyridine 658.19 3-pentanone 277.01 furfural 340.47 n-dodecane 8.03 diethylene glycol 133.7 diisopropyl ether 93.05 tert-amyl alcohol 280.88 acetylacetone 288.67 n-hexadecane 9.21 acetophenone 296.01 methyl propionate 324.29 isopentyl acetate 295.38 trichloroethylene 932.77 n-nonanol 84.78 cyclohexanol 135.56 benzyl alcohol 190.56 2-ethylhexanol 122.08 isooctanol 81.02 dipropyl ether 131.52 1,2-dichlorobenzene 219.6 ethyl lactate 91.86 propylene carbonate 212.85 n-methylformamide 150.34 2-pentanol 161.76 n-pentane 13.22 1-propoxy-2-propanol 182.06 1-methoxy-2-propyl acetate 256.29 2-(2-methoxypropoxy) propanol 227.63 mesitylene 80.82 ε-caprolactone 317.63 p-cymene 72.31 epichlorohydrin 558.01 1,1,1-trichloroethane 323.8 2-aminoethanol 68.66 morpholine-4-carbaldehyde 265.4 sulfolane 192.85 2,2,4-trimethylpentane 15.49 2-methyltetrahydrofuran 311.9 n-hexyl acetate 216.41 isooctane 12.2 2-(2-butoxyethoxy)ethanol 328.93 sec-butyl acetate 244.56 tert-butyl acetate 262.76 decalin 27.15 glycerin 53.46 diglyme 634.15 acrylic acid 126.96 isopropyl myristate 86.43 n-butyric acid 256.71 acetyl acetate 269.45 di(2-ethylhexyl) phthalate 71.26 ethyl propionate 281.18 nitromethane 440.26 1,2-diethoxyethane 404.55 benzonitrile 265.44 trioctyl phosphate 45.87 1-bromopropane 285.16 gamma-valerolactone 350.32 n-decanol 62.18 triethyl phosphate 88.05 4-methyl-2-pentanol 109.47 propionitrile 337.73 vinylene carbonate 222.6 1,1,2-trichlorotrifluoroethane 241.8 DMS 193.45 cumene 106.15 2-octanol 60.27 2-hexanone 281.85 octyl acetate 105.56 limonene 95.37 1,2-dimethoxyethane 478.12 ethyl orthosilicate 86.41 tributyl phosphate 70.53 diacetone alcohol 250.67 N,N-dimethylaniline 180.24 acrylonitrile 402.68 aniline 208.54 1,3-propanediol 130.3 bromobenzene 273.55 dibromomethane 387.41 1,1,2,2-tetrachloroethane 660.26 2-methyl-cyclohexyl acetate 161.72 tetrabutyl urea 91.43 diisobutyl methanol 79.82 2-phenylethanol 191.98 styrene 251.45 dioctyl adipate 128.19 dimethyl sulfate 120.88 ethyl butyrate 241.21 methyl lactate 93.96 butyl lactate 105.9 diethyl carbonate 172.34 propanediol butyl ether 137.17 triethyl orthoformate 139.97 p-tert-butyltoluene 65.17 methyl 4-tert-butylbenzoate 171.06 morpholine 508.54 tert-butylamine 125.63 n-dodecanol 47.18 dimethoxymethane 278.66 ethylene carbonate 163.77 cyrene 122.24 2-ethoxyethyl acetate 242.01 2-ethylhexyl acetate 229.09 1,2,4-trichlorobenzene 234.94 4-methylpyridine 519.79 dibutyl ether 166.83 2,6-dimethyl-4-heptanol 79.82 DEF 348.6 dimethyl isosorbide 309.66 tetrachloroethylene 341.39 eugenol 183.66 triacetin 198.49 span 80 144.65 1,4-butanediol 42.71 1,1-dichloroethane 398.18 2-methyl-1-pentanol 200.75 methyl formate 109.81 2-methyl-1-butanol 197.44 n-decane 12.73 butyronitrile 300.01 3,7-dimethyl-1-octanol 118.95 1-chlorooctane 72.54 1-chlorotetradecane 28.41 n-nonane 11.01 undecane 9.78 tert-butylcyclohexane 25.31 cyclooctane 9.22 cyclopentanol 79.62 tetrahydropyran 423.54 tert-amyl methyl ether 261.73 2,5,8-trioxanonane 420.65 1-hexene 124.67 2-isopropoxyethanol 172.54 2,2,2-trifluoroethanol 54.15 methyl butyrate 351.68 Scent© AI
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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 |
| Name | CAS | Botanical | Proportion |
|---|---|---|---|
| Cinnamomum "Re G—ng" (Vietnam) 1a leaf | Cinnamomum species "Re G—ng", fam. Lauraceae | 85.9% | |
| Cinnamomum "Re G—ng" (Vietnam) 1b stem | Cinnamomum species "Re G—ng", fam. Lauraceae | 92.4% | |
| Cinnamomum "Re G—ng" (Vietnam) 1c wood | Cinnamomum species "Re G—ng", fam. Lauraceae | 44.2% | |
| Cinnamomum "Re G—ng" (Vietnam) 1d root | Cinnamomum species "Re G—ng", fam. Lauraceae | 7.8% |