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Basic information

  • Name:
  • Acetic acid,2-mercapto-, 2-ethylhexyl ester

  • Superlist Name:
  • 2-Ethylhexyl mercaptoacetate
  • CAS No.:
  • 7659-86-1

  • Molecular Structure:
  • Formula:
  • C10H20O2S
  • Molecular Weight:
  • 92.12
  • Deleted CAS:
  • 32885-07-7
  • Synonyms:
  • Aceticacid, mercapto-, 2-ethylhexyl ester (6CI,7CI,8CI,9CI);2-Ethylhexyl2-mercaptoacetate;2-Ethylhexyl thioglycolate;Mercaptoacetic acid 2-ethylhexyl ester;
  • EINECS:
  • 231-626-4
  • Density:
  • 0.972 g/cm3
  • Boiling Point:
  • 270.9 °C at 760 mmHg
  • Flash Point:
  • 137.4 °C
  • Hazard Symbols:
  • HarmfulXn
  • Risk Codes:
  • 10-20/22-36/37/38
  • Safety Description:
  • 26-36/37 Details
  • Transport Information:
  • UN 3272 3/PG 3

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Specification

The 2-Ethylhexyl mercaptoacetate, with the CAS registry number 7659-86-1, is also known as Thioglykolsaeure-2-aethylhexyl ester. It belongs to the product category of Industrial/Fine Chemicals. Its EINECS registry number is 231-626-4. This chemical's molecular formula is C10H20O2S and molecular weight is 204.33. Its IUPAC name is called 2-ethylhexyl 2-sulfanylacetate. This chemical can be used as a stabilizer in the plastic products, especially PVC products..

Physical properties of 2-Ethylhexyl mercaptoacetate: (1)ACD/LogP: 4.19; (2)ACD/LogD (pH 5.5): 4.19; (3)ACD/LogD (pH 7.4): 4.12; (4)ACD/BCF (pH 5.5): 894.21; (5)ACD/BCF (pH 7.4): 769.59; (6)ACD/KOC (pH 5.5): 4508.04; (7)ACD/KOC (pH 7.4): 3879.74; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 9; (10)Index of Refraction: 1.46; (11)Molar Refractivity: 58 cm3; (12)Molar Volume: 211.5 cm3; (13)Surface Tension: 32.2 dyne/cm; (14)Density: 0.966 g/cm3; (15)Flash Point: 137.4 °C; (16)Enthalpy of Vaporization: 50.91 kJ/mol; (17)Boiling Point: 270.9 °C at 760 mmHg; (18)Vapour Pressure: 0.00666 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(CC)COC(=O)CS
(2)InChI: InChI=1S/C10H20O2S/c1-3-5-6-9(4-2)7-12-10(11)8-13/h9,13H,3-8H2,1-2H3
(3)InChIKey: OWHSTLLOZWTNTQ-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 955mg/kg (955mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse LD50 intraperitoneal 865mg/kg (865mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
mouse LD50 oral 1430mg/kg (1430mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rabbit LD50 oral 534mg/kg (534mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rat LD50 intraperitoneal 265mg/kg (265mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.
rat LD50 oral 303mg/kg (303mg/kg)   Zeitschrift fuer die Gesamte Hygiene und Ihre Grenzgebiete. Vol. 20, Pg. 575, 1974.

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