Acetic acid C2H4O2 structure – Flashcards
Flashcard maker : Anna Collins
Contents
- Experimental Melting Point:
- Experimental Boiling Point:
- Experimental Ionization Potent:
- Experimental Vapor Pressure:
- Experimental LogP:
- Experimental Flash Point:
- Experimental Freezing Point:
- Experimental Gravity:
- Experimental Refraction Index:
- Experimental Solubility:
- Appearance:
- Toxicity:
- Safety:
- First-Aid:
- Exposure Routes:
- Symptoms:
- Target Organs:
- Incompatibility:
- Personal Protection:
- Retention Index (Kovats):
- Retention Index (Normal Alkane):
| Molecular Formula | C2H4O2 |
| Average mass | 60.052 Da |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 117.1±3.0 °C at 760 mmHg |
| Flash Point | 40.0±0.0 °C |
| Molar Refractivity | 12.9±0.3 cm3 |
| Polarizability | 5.1±0.5 10-24cm3 |
| Surface Tension | 31.9±3.0 dyne/cm |
| Molar Volume | 56.2±3.0 cm3 |
- Experimental data
- Predicted – ACD/Labs
- Predicted – EPISuite
- Predicted – ChemAxon
- Experimental Physico-chemical Properties
-
Experimental Melting Point:
16.6 °C Alfa Aesar 16.7 °C Oxford University Chemical Safety Data (No longer updated) More details 16.7 °C Jean-Claude Bradley Open Melting Point Dataset 15567 16.6 °C Jean-Claude Bradley Open Melting Point Dataset 22507, 27744 17 °C Jean-Claude Bradley Open Melting Point Dataset 13122, 6313 16.6 °C Alfa Aesar 35566, 35567, 35569, 35572, 38739, 38740, 10994, 33252, 39745, 36289 16.2 °C Oakwood 035907 16 °C Oakwood 044721 16.2 °C LabNetwork LN00162861 1.049 °C LabNetwork LN00162861 16.7 °C FooDB FDB008299 -
Experimental Boiling Point:
118.1 °C Alfa Aesar 244 F (117.7778 °C)
NIOSH AF1225000118 °C Food and Agriculture Organization of the United Nations Acetic acid 118 °C Oxford University Chemical Safety Data (No longer updated) More details 118.1 °C Alfa Aesar 35566, 35567, 35569, 35572, 38739, 38740, 10994, 33252, 39745, 36289 117-118 °C Oakwood 035907, 044721 117-118 °C LabNetwork LN00162861 118 °C LabNetwork LN00162861 118 °C FooDB FDB008299 -
Experimental Ionization Potent:
10.66 Ev NIOSH AF1225000 -
Experimental Vapor Pressure:
11 mmHg NIOSH AF1225000 -
Experimental LogP:
-0.17 Egon Willighagen http://dx.doi.org/10.1021/ci050282s -
Experimental Flash Point:
103 F (39.4444 °C)
NIOSH AF122500040 °C Oxford University Chemical Safety Data (No longer updated) More details 40 °C Alfa Aesar 40 °F (4.4444 °C)
Alfa Aesar 10994, 33252, 39745, 3628940 °C Oakwood 035907, 044721 40 °C LabNetwork LN00162861 39 °C LabNetwork LN00162861 -
Experimental Freezing Point:
62 F (16.6667 °C)
NIOSH AF1225000 -
Experimental Gravity:
1.048-1.052 g/mL / 20 °C Merck Millipore 818755 1.048-1.052 g/mL Merck Millipore 818755, 5096 20 g/l Merck Millipore 818755 1.049 g/mL Alfa Aesar 35566, 35567, 35569, 35572, 38739, 38740, 10994, 33252, 39745, 36289 1.049 g/mL Oakwood 035907, 044721 1.049 g/mL Fluorochem 1.049 g/l Fluorochem 044721 -
Experimental Refraction Index:
1.3721 Alfa Aesar 39745, 38740, 38739, 36289, 33252, 10994 1.366-1.377 Food and Agriculture Organization of the United Nations Acetic acid 25 FooDB FDB008299 -
Experimental Solubility:
Miscible NIOSH AF1225000
-
- Miscellaneous
-
Appearance:
clear, colourless liquid/pungent odour Food and Agriculture Organization of the United Nations Acetic acid Colorless liquid or crystals with a sour, vinegar-like odor. [Note: Pure compound is a solid below 62F. Often used in an aqueous solution.] NIOSH AF1225000 -
Toxicity:
ORL-RAT LD50 3310 mg kg-1 , IVN-MUS LD50 525 mg kg-1 Oxford University Chemical Safety Data (No longer updated) More details -
Safety:
10/1/1935 12:00:00 AM Alfa Aesar 10994, 33252, 36289, 39745, 35566, 35567, 35569, 35572, 38739, 38740 10-35 Alfa Aesar 10994, 33252, 36289, 39745 23-26-45 Alfa Aesar 10994, 33252, 36289, 39745, 35566, 35567, 35569, 35572, 38739, 38740, 88556 36/38 Alfa Aesar 88556 8 Alfa Aesar 10994, 33252, 36289, 39745 CAUTION: May be harmful if swallowed Alfa Aesar 35567 Danger Alfa Aesar 10994, 33252, 36289, 39745 DANGER: CORROSIVE, burns skin and eyes Alfa Aesar 10994, 33252, 36289, 39745, 38739, 38740, 88556 H314-H226 Alfa Aesar 10994, 33252, 36289, 39745 Oct-35 Alfa Aesar 10994, 33252, 36289, 39745 P210-P260-P303+P361+P353-P305+P351+P338-P405-P501a Alfa Aesar 10994, 33252, 36289, 39745 WARNING: Irritates skin and eyes Alfa Aesar 35566, 35569, 35572 -
First-Aid:
Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately NIOSH AF1225000 -
Exposure Routes:
inhalation, skin and/or eye contact NIOSH AF1225000 -
Symptoms:
Irritation eyes, skin, nose, throat; eye, skin burns; skin sensitization; dental erosion; black skin, hyperkeratosis; conjunctivitis, lacrimation (discharge of tears); pharyngeal edema, chronic bronch
itis NIOSH AF1225000 -
Target Organs:
Eyes, skin, respiratory system, teeth NIOSH AF1225000 -
Incompatibility:
Strong oxidizers (especially chromic acid, sodium peroxide & nitric acid), strong caustics [Note: Corrosive to metals.] NIOSH AF1225000 -
Personal Protection:
Skin: Prevent skin contact (>10%) Eyes: Prevent eye contact Wash skin: When contaminated (>10%) Remove: When wet or contaminated (>10%) Change: No r
ecommendation Provide: Eyewash (>5%), Quick drench (>50%) NIOSH AF1225000
-
- Gas Chromatography
-
Retention Index (Kovats):
576 (estimated with error: 51) NIST Spectra mainlib_227635, replib_34542, replib_34563, replib_291347, replib_334226 590 (Program type: Isothermal; Col… (show more) umn class: Standard non-polar; Column length: 6 m; Column type: Packed; Start T: 120 C; CAS no: 64197; Active phase: SE-30; Carrier gas: He; Substrate: Chromosorb P; Data type: Kovats RI; Authors: Viani, R.; Muggler-Chavan, F.; Reymond, D.; Egli, R.H., 196. Sur la composition de l’arome de cafe, Helv. Chim. Acta, 48(195-196), 1965, 1809-1815.) NIST Spectra nist ri 1465 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 60 C; End T: 240 C; End time: 10 min; Start time: 5 min; CAS no: 64197; Active phase: Supelcowax; Phase thickness: 0.25 um; Data type: Kovats RI; Authors: Riu-Aumatell, M.; Castellari, M.; Lopez-Tamames, E.; Galassi, S.; Buxaderas, S., Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS, Food Chem., 87, 2004, 627-637.) NIST Spectra nist ri 1447 (Program type: Complex; Column… (show more) class: Standard polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 50 0C (8 min) ^ 4 K/min -; 110 0C ^ 16 K/min -; 200 0C; CAS no: 64197; Active phase: Carbowax 20M; Carrier gas: H2; Data type: Kovats RI; Authors: Garruti, D.S.; Franco, M.R.B.; da Silva, M.A.A.A.P.; Janzantti, N.S.; Alves, G.L., Compostos volateis do sabor de pseudofrutos de cajueiro anao precoce (Anacardium occidentale L.) CCP-76, Boletim de Pesquisa e Desenvolvimento 4, Empresa Brasileira de Pesquisa Agropecuaria, Fortaleza, Brazil, 2001, 29.) NIST Spectra nist ri 1408 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.22 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 64197; Active phase: Carbowax 20M; Data type: Kovats RI; Authors: Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T., Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree, J. Agric. Food Chem., 37(1), 1989, 139-142.) NIST Spectra nist ri 1400 (Program type: Ramp; Column cl… (show more) ass: Standard polar; Column diameter: 0.28 mm; Column length: 50 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 80 C; End T: 200 C; CAS no: 64197; Active phase: Carbowax 20M; Carrier gas: N2; Data type: Kovats RI; Authors: Shibamoto, T.; Kamiya, Y.; Mihara, S., Isolation and identification of volatile compounds in cooked meat: sukiyaki, J. Agric. Food Chem., 29, 1981, 57-63.) NIST Spectra nist ri -
Retention Index (Normal Alkane):
638 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.20 mm; Column length: 25 m; Column type: Capillary; Heat rate: 6 K/min; Start T: 50 C; End T: 250 C; CAS no: 64197; Active phase: OV-101; Carrier gas: N2/He; Phase thickness: 0.10 um; Data type: Normal alkane RI; Authors: Zenkevich, I.G., Experimentally measured retention indices., 2005.) NIST Spectra nist ri 630 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 64197; Active phase: SE-30; Data type: Normal alkane RI; Authors: Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004.) NIST Spectra nist ri 617 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 200 C; Start time: 10 min; CAS no: 64197; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; Lopez-Tamames, E., Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection, J. Chromatogr. A, 983, 2003, 19-33., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 3 K/min; Start T: 40 C; End T: 200 C; Start time: 10 min; CAS no: 64197; Active phase: SPB-1; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; Lopez-Tamames, E., Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy, J. Agric. Food Chem., 51, 2003, 6572-6577.) NIST Spectra nist ri 584 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; Heat rate: 10 K/min; Start T: 50 C; End T: 300 C; Start time: 2 min; CAS no: 64197; Active phase: AT-1; Carrier gas: He; Data type: Normal alkane RI; Authors: Kelling, F.J., Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001.) NIST Spectra nist ri 620.77 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 40 C; End T: 220 C; Start time: 10 min; CAS no: 64197; Active phase: Methyl Silicone; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P., Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees, Phys. Chem. Earth, 24(6), 1999, 729-732.) NIST Spectra nist ri 650 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 40 C; End T: 280 C; CAS no: 64197; Active phase: DB-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Tai, C.-Y.; Ho, C.-T., Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds, J. Agric. Food Chem., 46(6), 1998, 2260-2265.) NIST Spectra nist ri 634 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column type: Capillary; CAS no: 64197; Active phase: Methyl Silicone; Data type: Normal alkane RI; Authors: Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 50(10), 1995, 937-944.) NIST Spectra nist ri 648 (Program type: Complex; Column… (show more) class: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Description: 3 min at 5 C; 5 – 50 C at 3 deg/min; 50 – 220 C at 5 deg/min; CAS no: 64197; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M., Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry, J. Chromatogr., 643, 1993, 55-69., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; CAS no: 64197; Active phase: DB-1; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R., Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas, Eur Commission EUR, , 1994, 549-568.) NIST Spectra nist ri 600 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Description: 40C(1min) =;7C/min =;110C =;5C/min =;180C =;10C/min =; 240C(10min); CAS no: 64197; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Greger, V.; Schieberle, P., Characterization of the Key Aroma Compounds in Apricots (Prunus armeniaca) by Application of the Molecular Sensory Science Concept, J. Agric. Food Chem., 55, 2007, 5221-5228., Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 35C (2min) =; 40C/min =; 60C (2min) =;6C/min =; 180C =; 10C/min =; 240C; CAS no: 64197; Active phase: SE-54; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Schermann, P.; Schieberle, P., Evaluation of key odorants in milk chocolate and cocoa mass by aroma extract dilution analyses, J. Agric. Food Chem., 45, 1997, 867-872., Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Description: 35C(2min) =;40C/min =;60C(2min) =;6C/min =;180C=; 10C/min =; 230C(10min); CAS no: 64197; Active phase: SE-54; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Lasekan, O.; Buettner, A.; Christlbauer, M., Investigation of important odorants of palm wine (Elaeis guineensis), Food Chem., 105, 2007, 15-23., Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.25 mm; Column length: 30 m; Column type: Capillary; Heat rate: 4 K/min; Start T: 60 C; End T: 280 C; End time: 40 min; Start time: 10 min; CAS no: 64197; Active phase: DB-5; Carrier gas: H2; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Pino, J.A.; Marbot, R.; Fuentes, V., Characterization of volatiles in Bullock’s heart (Annona reticulata L.) fruit cultivars from Cuba, J. Agric. Food Chem., 51, 2003, 3836-3839., Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 30 m; Column type: Capillary; Heat rate: 5 K/min; Start T: 60 C; End T: 280 C; End time: 2 min; Start time: 0.5 min; CAS no: 64197; Active phase: DB-5; Carrier gas: He; Phase thickness: 0.25 um; Data type: Normal alkane RI; Authors: Ozel, M.Z.; Gogus, F.; Lewis, A.C., Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS, Anal. Chim. Acta., 566, 2006, 172-177., Program type: Ramp; Column cl… (show more) ass: Semi-standard non-polar; Column diameter: 0.32 mm; Column length: 60 m; Column type: Capillary; Heat rate: 15 K/min; Start T: 35 C; End T: 240 C; End time: 10 min; Start time: 7 min; CAS no: 64197; Active phase: DB-5; Carrier gas: Helium; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Gogus, F.; Ozel, M.Z.; Lewis, A.C., The Effect of Various Drying Techniques on Apricot Volatiles Analysed Using Direct Desorption-GC-TOF/MS, Talanta, 73, 2007, 321-325., Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 40 C; End T: 260 C; End time: 60 min; Start time: 5 min; CAS no: 64197; Active phase: DB-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin, J. Agric. Food Chem., 42(4), 1994, 1005-1009.) NIST Spectra nist ri 611 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column diameter: 0.25 mm; Column length: 60 m; Column type: Capillary; Heat rate: 2 K/min; Start T: 40 C; End T: 260 C; End time: 60 min; Start time: 5 min; CAS no: 64197; Active phase: DB-1; Carrier gas: He; Phase thickness: 1.0 um; Data type: Normal alkane RI; Authors: Yu, T.-H.; Wu, C.-M.; Ho, C.-T., Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin, J. Agric. Food Chem., 42(4), 1994, 1005-1009.) NIST Spectra nist ri 622 (Program type: Complex; Column… (show more) class: Semi-standard non-polar; Column diameter: 0.2 mm; Column length: 50 m; Column type: Capillary; Description: 40C(1min) =>5C/min =>210C =>20C/min =>250C(8min); CAS no: 64197; Active phase: HP-5; Carr Haven't found what you were looking for?
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