CAS 123-81-9 Ethylene di(S-thioacetate) (HCID 61059)

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Basic information

CAS: 123-81-9
Standard SMILES: O=C(CS)OCCOC(=O)CS
InChIKey: PSYGHMBJXWRQFD-UHFFFAOYSA-N
Molecular formula: C6H10O4S2
Average molar mass: 210.3 g/mol
Monoisotopic mass: 210.0020508

Overview

See also: Ethylene glycol bis-mercaptoacetate (annotation moved to).

Names & identifiers

Preferred name: Ethylene di(S-thioacetate)
IUPAC: 2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetate
English name: Glycol dimercaptoacetate
Molecular formula: C6H10O4S2
Molecular weight: 210.27

Names & synonyms

Glycol dimercaptoacetateEthylene di(S-thioacetate)RefChem:596598204-653-4123-81-9Ethylene glycol bisthioglycolateEthylene mercaptoacetateGDMAEthylenebis(thioglycolate)Glycol bis(mercaptoacetate)Ethylene bis(mercaptoacetate)Ethylene glycol bis(mercaptoacetate)

Show more names

ETHYLENE GLYCOL BIS-MERCAPTOACETATEEthylendi(S-thioacetat)ethylenemercaptoacetateglycolbis(mercaptoacetate)Ethylene bis(thioglycolate)

2-(2-sulfanylacetyl)oxyethyl 2-sulfanylacetateEthylene glycol bis(thioglycolic ester)2-[(2-sulfanylacetyl)oxy]ethyl 2-sulfanylacetateEthylene glycol bis(thioglycolate)ACETIC ACID, MERCAPTO-, 1,2-ETHANEDIYL ESTERMFCD00004875Acetic acid, mercapto-, ethylene esterEthylene Bis(thioglycolate) (Purified)

Database identifiers

CAS: 123-81-9
PubChem CID: 61059
DTXSID: DTXSID0044527

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 142

Physicochemical properties

Boiling point: 137 · 137-139 °C2 mm Hg(lit.)
Density: 1.313 g/mL · 1.313 g/mL at 25 °C(lit.)
vapor pressure: 0.62 Pa · 0.62Pa at 25℃
refractive index: 20 · n20/D 1.522(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
solubility: 20 g/l; · 20g/l; poorly soluble in water, miscible with alcohol.
form: clear liquid
pka: 7.51 · 7.51±0.10(Predicted)
color: Colorless to Almost colorless
Specific Gravity: 1.33 · 1.33 (20℃)
Viscosity: 10.03 mm2/s · 10.03mm2/s
Water Solubility: 20 g/L · 20 g/L (20 ºC)
InChI: 1S/C6H10O4S2/c7-5(3-11)9-1-2-10-6(8)4-12/h11-12H,1-4H2
InChIKey: PSYGHMBJXWRQFD-UHFFFAOYSA-N

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 5% (6 of 119) of reports.

Warning

H302+H312+H332 (15.1%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 119 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26267

Hazard Classes and CategoriesAcute Tox. 4 (93.3%)

Safety data

wgk: 2
tsca: TSCA listed
rtecs: AI6600000
ridadr: 2810
hs_code: 29309070
Toxicity: LD50 orally in Rabbit: 330 mg/kg
risk_code: 22-36/37/38-51/53-36/38-20/21/22-R51/53-R36/38-R20/21/22
Signal word: Warning
Symbol(GHS): GHS07,GHS09
hazard_code: Xn,N
safety_code: 26-36-57-36/37/39-29-S57-S36/37/39-S29-S26
hazard_class: 6.1(b)

Chemistry & industry

Applications · 1 item

UsesCrosslinking agent for rubbers, accelerator in curing epoxy resins. This ester has little more than academic interest, but it may be formed in small quantities in cosmetic preparations when Thioglycolic acid and Ethylene glycol are used at the same time.