Ethylorthoformate
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Identifiers
Molecular formula
C3H6O3-2SMILES
CCOC([O-])[O-]
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Odor profile
Fragrance Odorless 48.39% Fruity 47.28% Alcoholic 34.78% Sweet 30.38% Ethereal 30.01% Fresh 23.05% Green 22.39% Winey 21.37% Pungent 20.52% Bitter 19.22% Flavor Odorless 42.89% Sweet 30.23% Sulfurous 27.59% Fruity 26.78% Onion 25.18% Alcoholic 23.46% Very slight 23.03% Sweet-like 22.65% Sulfury 21.5% Soup 21.48% Odor impact est.
High -
Properties
XLogP3-AA
1.6pKa est.
4.56 (weak acid)Molecular weight
90.08 g/molFlash point
- 34.67 ˚C est.
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Synonyms
- ethylorthoformate
- ethyl-orthoformate
- ethyl ortho formate
- ethyl ortho-formate
- WJYLLOQXAYKDEW-UHFFFAOYSA-N
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Applications
Ethylorthoformate is primarily used as a formylating reagent in organic synthesis, providing a source of formyl groups to convert amines into formamides and to enable formation of formylated intermediates for subsequent transformations such as imine formation and heterocycle synthesis. It is widely used in pharmaceutical and agrochemical manufacturing as a building block for formylated intermediates and for heterocycle precursors. It also serves as an important precursor in the synthesis of dyes, pigments, and other specialty chemicals. In process development and research settings, it is employed for formylation steps and as a flexible reagent in multi-step syntheses, with handling and use governed by local regulations.
gpt-5-nano
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Solubility @25˚C
Solvent Solubility (g/L) ethanol 180.96 methanol 382.04 isopropanol 108.55 water 81.18 ethyl acetate 112.98 n-propanol 112.18 acetone 271.56 n-butanol 90.0 acetonitrile 274.92 DMF 855.64 toluene 23.77 isobutanol 65.38 1,4-dioxane 231.9 methyl acetate 173.42 THF 197.39 2-butanone 131.94 n-pentanol 58.65 sec-butanol 77.6 n-hexane 7.01 ethylene glycol 231.77 NMP 722.42 cyclohexane 12.46 DMSO 894.62 n-butyl acetate 57.35 n-octanol 51.1 chloroform 133.87 n-propyl acetate 56.09 acetic acid 1011.02 dichloromethane 208.96 cyclohexanone 191.81 propylene glycol 130.67 isopropyl acetate 52.13 DMAc 483.42 2-ethoxyethanol 173.99 isopentanol 56.97 n-heptane 6.02 ethyl formate 147.63 1,2-dichloroethane 158.97 n-hexanol 46.5 2-methoxyethanol 362.63 isobutyl acetate 23.25 tetrachloromethane 18.66 n-pentyl acetate 54.17 transcutol 400.79 n-heptanol 32.29 ethylbenzene 19.58 MIBK 49.04 2-propoxyethanol 121.5 tert-butanol 122.8 MTBE 50.76 2-butoxyethanol 74.98 propionic acid 299.74 o-xylene 31.26 formic acid 763.72 diethyl ether 65.38 m-xylene 21.81 p-xylene 27.72 chlorobenzene 79.57 dimethyl carbonate 84.98 n-octane 4.22 formamide 835.25 cyclopentanone 229.42 2-pentanone 93.77 anisole 64.49 cyclopentyl methyl ether 72.52 gamma-butyrolactone 394.66 1-methoxy-2-propanol 201.11 pyridine 196.8 3-pentanone 79.11 furfural 480.15 n-dodecane 4.75 diethylene glycol 177.02 diisopropyl ether 15.48 tert-amyl alcohol 91.49 acetylacetone 156.32 n-hexadecane 5.12 acetophenone 92.67 methyl propionate 133.11 isopentyl acetate 42.1 trichloroethylene 276.35 n-nonanol 43.65 cyclohexanol 88.34 benzyl alcohol 81.79 2-ethylhexanol 28.91 isooctanol 25.31 dipropyl ether 29.65 1,2-dichlorobenzene 96.83 ethyl lactate 56.94 propylene carbonate 178.9 n-methylformamide 473.17 2-pentanol 50.42 n-pentane 7.34 1-propoxy-2-propanol 73.87 1-methoxy-2-propyl acetate 66.05 2-(2-methoxypropoxy) propanol 109.6 mesitylene 17.96 ε-caprolactone 202.73 p-cymene 17.77 epichlorohydrin 260.9 1,1,1-trichloroethane 65.3 2-aminoethanol 213.05 morpholine-4-carbaldehyde 520.32 sulfolane 567.6 2,2,4-trimethylpentane 4.9 2-methyltetrahydrofuran 125.11 n-hexyl acetate 91.18 isooctane 3.09 2-(2-butoxyethoxy)ethanol 147.53 sec-butyl acetate 29.66 tert-butyl acetate 57.9 decalin 7.44 glycerin 266.0 diglyme 226.49 acrylic acid 449.51 isopropyl myristate 31.9 n-butyric acid 201.66 acetyl acetate 107.0 di(2-ethylhexyl) phthalate 46.01 ethyl propionate 58.88 nitromethane 1054.85 1,2-diethoxyethane 78.36 benzonitrile 121.75 trioctyl phosphate 30.88 1-bromopropane 48.49 gamma-valerolactone 387.4 n-decanol 33.79 triethyl phosphate 33.98 4-methyl-2-pentanol 27.27 propionitrile 120.86 vinylene carbonate 214.61 1,1,2-trichlorotrifluoroethane 313.04 DMS 101.68 cumene 17.77 2-octanol 27.03 2-hexanone 53.36 octyl acetate 49.53 limonene 25.66 1,2-dimethoxyethane 221.23 ethyl orthosilicate 27.53 tributyl phosphate 38.42 diacetone alcohol 108.42 N,N-dimethylaniline 58.6 acrylonitrile 265.93 aniline 77.99 1,3-propanediol 212.26 bromobenzene 59.19 dibromomethane 105.26 1,1,2,2-tetrachloroethane 197.06 2-methyl-cyclohexyl acetate 40.71 tetrabutyl urea 62.05 diisobutyl methanol 19.73 2-phenylethanol 58.65 styrene 29.02 dioctyl adipate 60.01 dimethyl sulfate 192.83 ethyl butyrate 45.96 methyl lactate 126.73 butyl lactate 61.53 diethyl carbonate 39.03 propanediol butyl ether 116.12 triethyl orthoformate 32.65 p-tert-butyltoluene 16.42 methyl 4-tert-butylbenzoate 89.05 morpholine 248.5 tert-butylamine 56.91 n-dodecanol 26.61 dimethoxymethane 198.04 ethylene carbonate 146.86 cyrene 114.78 2-ethoxyethyl acetate 86.15 2-ethylhexyl acetate 32.72 1,2,4-trichlorobenzene 117.34 4-methylpyridine 162.87 dibutyl ether 37.26 2,6-dimethyl-4-heptanol 19.73 DEF 199.28 dimethyl isosorbide 144.21 tetrachloroethylene 149.67 eugenol 102.17 triacetin 114.16 span 80 105.3 1,4-butanediol 88.56 1,1-dichloroethane 85.49 2-methyl-1-pentanol 44.78 methyl formate 347.38 2-methyl-1-butanol 56.87 n-decane 6.69 butyronitrile 90.74 3,7-dimethyl-1-octanol 38.9 1-chlorooctane 24.91 1-chlorotetradecane 12.47 n-nonane 6.3 undecane 5.47 tert-butylcyclohexane 6.12 cyclooctane 4.8 cyclopentanol 112.27 tetrahydropyran 109.04 tert-amyl methyl ether 47.45 2,5,8-trioxanonane 197.28 1-hexene 20.04 2-isopropoxyethanol 86.5 2,2,2-trifluoroethanol 354.45 methyl butyrate 85.99 Scent© AI
| Maximum acceptable concentrations in the finished product (%) | |||
|---|---|---|---|
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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 |