Thiodiglycol is a diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom.
Definition
Thiodiglycol is a diol that is pentane-1,5-diol in which the methylene group at position 3 is replaced by a sulfur atom. It has a role as an antioxidant, a metabolite, an antineoplastic agent and a solvent. It is an aliphatic sulfide and a diol. It is functionally related to a mercaptoethanol.
Source: PubChem
US FDA substance register · UNII 9BW5T43J04 · registered name THIODIGLYCOL · single chemical substance
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 111-48-8
- EC No.EU chemical inventory number
- 203-874-3
- DTXSIDUS EPA chemical ID
- DTXSID6026878
- DTXCIDUS EPA compound ID
- DTXCID506878
- IUPAC
- 2,2'-Sulfanediyldi(ethan-1-ol)
- Molecular formula
- C4H10O2S
- Molecular weight
- 122.18 g/mol
Measured properties
- Appearance
- This material has many uses, including as a precursor to the sulfur mustard family of chemical weapons. It is chemically similar to thioglycol and is expected to react in a similar way to this material. See the chemical datasheet for thioglycol for more information. · Liquid
- Odour
- Characteristic odor · Odor similar to hydrogen sulfide
- Boiling point
- 282 °C · 282.00 °C. @ 760.00 mm Hg
- Melting point
- -10.2 °C · -18 - -10 °C
- Solubility
- In water, miscible at 20 °C · Miscible with water
- Density
- 1.1793 g/cu cm at 25 °C · Bulk density: 9.85 lb/gal
- Stability
- Stable under recommended storage conditions.
- Viscosity
- 0.652 cP at 20 °C · (0.652P)
- Melting/freezing point
- -10.2 ℃
- Initial boiling point and range
- 283 ℃
- Flash point
- 160 ℃(o.c.)
- Upper/lower flammability or explosive limits
- 5.2 / 1.2 %
- Vapour pressure
- 0.00323 ㎜Hg (25℃)
- Water solubility
- 100 g/100㎖ (20℃)
- Vapour density
- 4.22
- Relative density
- 1.1852
- n-Octanol/water partition coefficient (Kow)
- -0.63
- Auto-ignition temperature
- 260 ℃
- Molecular weight
- 122.18
Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.
Source: PubChem · KOSHA safety data sheets (Korea)
What products actually use it for
What the 5 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.
- Intermediate1
- Binder1
- Antioxidant1
- Solvent1
- Processing aids not otherwise specified1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
5 skin studies and 5 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 10 studies
- Not classified
Skin Irritation · Screening - Not classified
Skin Sensitization · Screening - Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) according to - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to EU Method B.6 (Skin Sensitisation) - Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to OECD Guideline 406 (Skin Sensitisation) - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Not classified
Eye Irritation · Screening - Eye Irrit. 2
Eye Irritation · Authoritative - Moderate or Mild Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to - Moderate or Mild Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) according to
Source: US EPA CompTox dashboard
Related literature
- Monitoring Urine Thiodiglycol after Rabbit Skin Exposure to Sulfur Mustard Based on Highly-sensitive Isotope Dilution Gas Chromatography-Mass Spectrometry · 2014
- Application of in vivo microdialysis for studying the efficacy of protective preparations against sulfur mustard penetrating the skin · 2008
- Toxicity Assessment of Thiodiglycol · 2005
- Quantitative analysis of the sulfur mustard hydrolysis product thiodiglycol (2,2'-sulfobisethanol) in in vivo microdialysates using gas chromatography coupled with pulsed flame photometric detection. · 2005
- QUANTIFICATION OF THIODIGLYCOL IN HUMAN URINE AFTER AN ACCIDENTAL SULFUR MUSTARD EXPOSURE · 2000
Linked databases 18
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea Cosmetic Association ingredient dictionary
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- MFDS (Korea) cosmetic ingredient register 2
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · English · Japanese · Chinese