Input interpretation
2-ethylhexyl mercaptoacetate
Chemical names and formulas
formula | HSCH_2COOCH_2CH(C_2H_5)(CH_2)_3CH_3 Hill formula | C_10H_20O_2S name | 2-ethylhexyl mercaptoacetate IUPAC name | 2-mercaptoacetic acid 2-ethylhexyl ester alternate names | 2-EHTG™ | 2-ethylhexyl 2-sulfanylacetate | 2-ethylhexyl 2-sulfanylethanoate | 2-ethylhexyl thioglycolate | 2-mercaptoacetic acid 2-ethylhexyl ester | mercaptoacetic acid 2-ethylhexyl ester | thioglycolic acid 2-ethylhexyl ester | thioglycolic acid-2-ethylhexyl esters mass fractions | C (carbon) 58.8% | H (hydrogen) 9.87% | O (oxygen) 15.7% | S (sulfur) 15.7%
Lewis structure
Draw the Lewis structure of 2-ethylhexyl mercaptoacetate. Start by drawing the overall structure of the molecule, ignoring potential double and triple bonds: Count the total valence electrons of the carbon (n_C, val = 4), hydrogen (n_H, val = 1), oxygen (n_O, val = 6), and sulfur (n_S, val = 6) atoms: 10 n_C, val + 20 n_H, val + 2 n_O, val + n_S, val = 78 Calculate the number of electrons needed to completely fill the valence shells for carbon (n_C, full = 8), hydrogen (n_H, full = 2), oxygen (n_O, full = 8), and sulfur (n_S, full = 8): 10 n_C, full + 20 n_H, full + 2 n_O, full + n_S, full = 144 Subtracting these two numbers shows that 144 - 78 = 66 bonding electrons are needed. Each bond has two electrons, so in addition to the 32 bonds already present in the diagram add 1 bond. To minimize formal charge oxygen wants 2 bonds and carbon wants 4 bonds. Identify the atoms that want additional bonds and the number of electrons remaining on each atom: Fill in the 1 bond by pairing electrons between adjacent highlighted atoms: Answer: | |
3D structure
3D structure
Basic properties
molar mass | 204.3 g/mol phase | liquid (at STP) boiling point | 257.5 °C density | 0.972 g/cm^3
Units
Liquid properties (at STP)
density | 0.972 g/cm^3 vapor pressure | 0.007 mmHg (at 25 °C) refractive index | 1.461
Units
Thermodynamic properties
molar heat of vaporization | 51 kJ/mol specific heat of vaporization | 0.25 kJ/g (at STP)
Chemical identifiers
CAS number | 7659-86-1 Beilstein number | 9047474 PubChem CID number | 24309 PubChem SID number | 24874508 SMILES identifier | CCCCC(CC)COC(=O)CS InChI identifier | InChI=1/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9, 13H, 3-8H2, 1-2H3 RTECS number | AI7255000 MDL number | MFCD00022081
Safety properties
flash point | 37 °C
DOT hazard class | 3 DOT numbers | 3272
Toxicity properties
RTECS classes | other