beta-Mercaptoethanol

Athanor · official

C₂H₆OS · 78.14 g/mol

IUPAC name: 2-sulfanylethanol

Also called BME, 2-mercaptoethanol, thioglycol, reducing agent

Reagents

Open in Athanor

Drawn from its SMILES with RDKit

DangerToxic if swallowed · Harmful if swallowed · Fatal in contact with skin · Toxic in contact with skin · Causes severe skin burns and eye damage · Causes skin irritation · May cause an allergic skin reaction · Causes serious eye damage · Toxic if inhaled · Harmful if inhaled · Suspected of damaging fertility or the unborn child · May causes damage to organs through prolonged or repeated exposure · Very toxic to aquatic life · Very toxic to aquatic life with long lasting effects · Toxic to aquatic life with long lasting effects

Names and identifiers

IUPAC name: 2-sulfanylethanol
Synonyms: BME, 2-mercaptoethanol, thioglycol
+ 38 more
reducing agent, Mercaptoethanol, Thioglycol, 2-Sulfanylethanol, Ethanol, 2-mercapto-, Thioethylene glycol, 2-Thioethanol, 2-Hydroxyethanethiol, Monothioglycol, Thiomonoglycol, 2-Hydroxyethyl mercaptan, 2-Hydroxy-1-ethanethiol, Monothioethylene glycol, 1-Ethanol-2-thiol, Hydroxyethyl mercaptan, 2-Mercapto-1-ethanol, 1-Hydroxy-2-mercaptoethane, 2-Mercaptoethyl alcohol, Mercaptoetanol, USAF EK-4196, Ethylene glycol, monothio-, beta-Hydroxyethanethiol, 1-Mercapto-2-hydroxyethane, Emery 5791, Monothioethyleneglycol, beta-Hydroxyethylmercaptan, DTXSID4026343, 14R9K67URN, NSC-3723, FEMA NO. 4582, CHEBI:41218, 2 Mercaptoethanol, RefChem:474038, DTXCID606343, 200-464-6, 2-ME, 2-sulfanylethan-1-ol, 2-Hydroxyethylmercaptan
Molecular formula: C₂H₆OS
Empirical formula: C₂H₆OS
Molecular weight: 78.14 g/mol
Exact mass: 78.01394
CAS number: 60-24-2
PubChem CID: 1567
Canonical SMILES: C(CS)O
Isomeric SMILES: C(CS)O
InChI: InChI=1S/C2H6OS/c3-1-2-4/h3-4H,1-2H2
InChIKey: DGVVWUTYPXICAM-UHFFFAOYSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: Water-white mobile liquid[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Thioglycol appears as a water-white liquid. May be toxic by ingestion, inhalation, or skin absorption. [1] CAMEO Chemicals
– Liquid [2] EPA Chemical Data Reporting (CDR)
– COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown Water-white mobile liquid [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 707
Melting point: -100 °C (-148 °F, NTP 1992)[1]
Boiling point: 157 °C[3]
2 values
Only one source reports it.
Value As written Source
157 to 158 °C 315 to 316 °F at 742 mmHg (decomposes) (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
157 °Cshown 157 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Density: 1.1168 @ 20°C[5]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
– 1.1143 at 68 °F (NTP, 1992) - Denser than water [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– Relative density (water = 1): 1.1 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown 1.1168 @ 20°C [5] PAC Chemical Database, U.S. Department of Energy
Solubility in water: Solubility in water: miscible[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
– Miscible in most organic solvents. [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 707
–shown Solubility in water: miscible [3] ILO-WHO International Chemical Safety Cards (ICSCs)
log P: -0.3 (estimated)[3]
pKa: pKa = 9.72 at 25 °C (c = 0.00012 moles/L)[4]
Vapor pressure: Vapor pressure, kPa at 20 °C: 0.13[3]
4 values
3 of 4 sources agree on it (most common value).
Value As written Source
1 mmHg 1 mmHg at 68 °F (NTP, 1992) [1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
1.756 mmHg 1.756 mm Hg at 25 °C /Extrapolated/ [4] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
0.98 mmHgshown Vapor pressure, kPa at 20 °C: 0.13 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1 mmHg 1 [mm Hg] @20 °C [5] PAC Chemical Database, U.S. Department of Energy
Flash point: 74 °C (165 °F) (open cup)[4]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
74 °C 165 °F (NFPA, 2010) [1] CAMEO Chemicalscites National Fire Protection Association. 2010. Fire Protection Guide to Hazardous Materials, 14th edition, edited by Guy R. Colonna. Quincy, MA: National Fire Protection Association. Note that this information is subject to the copyright restrictions of the organization that provided the data.
74 °Cshown 165 °F (74 °C) (open cup) [4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-79
74 °C 74 °C o.c. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Autoignition temperature: 295 °C[3]
Viscosity: Reported, but no value passed the checks.
The value and why
3.43 cP (no temperature given; source [4])

Value	As written	Source
–	Thioglycol appears as a water-white liquid. May be toxic by ingestion, inhalation, or skin absorption.	[1] CAMEO Chemicals
–	Liquid	[2] EPA Chemical Data Reporting (CDR)
–	COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	Water-white mobile liquid	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 707

Value	As written	Source
157 to 158 °C	315 to 316 °F at 742 mmHg (decomposes) (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
157 °Cshown	157 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	1.1143 at 68 °F (NTP, 1992) - Denser than water	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	Relative density (water = 1): 1.1	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	1.1168 @ 20°C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
–	Miscible in most organic solvents.	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 14th Edition. John Wiley & Sons, Inc. New York, NY 2001., p. 707
–shown	Solubility in water: miscible	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
1 mmHg	1 mmHg at 68 °F (NTP, 1992)	[1] CAMEO Chemicalscites National Toxicology Program, Institute of Environmental Health Sciences, National Institutes of Health (NTP). 1992. National Toxicology Program Chemical Repository Database. Research Triangle Park, North Carolina.
1.756 mmHg	1.756 mm Hg at 25 °C /Extrapolated/	[4] Hazardous Substances Data Bank (HSDB)cites Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
0.98 mmHgshown	Vapor pressure, kPa at 20 °C: 0.13	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
1 mmHg	1 [mm Hg] @20 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
74 °C	165 °F (NFPA, 2010)	[1] CAMEO Chemicalscites National Fire Protection Association. 2010. Fire Protection Guide to Hazardous Materials, 14th edition, edited by Guy R. Colonna. Quincy, MA: National Fire Protection Association. Note that this information is subject to the copyright restrictions of the organization that provided the data.
74 °Cshown	165 °F (74 °C) (open cup)	[4] Hazardous Substances Data Bank (HSDB)cites Fire Protection Guide to Hazardous Materials. 13 ed. Quincy, MA: National Fire Protection Association, 2002., p. 325-79
74 °C	74 °C o.c.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 4
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 2
H-bond acceptors: 2
Rotatable bonds: 1
TPSA (Å²): 20.2 computed here · PubChem 21.2
Formal charge: 0
XLogP3: -0.2 PubChem
Complexity: 10 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C30.74%
H7.74%
O20.48%
S41.04%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -0.09 Crippen (Wildman and Crippen 1999)
log S (water solubility): -0.2 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.02 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 78.14
log P ≤ 5 (Crippen): -0.09
H-bond donors ≤ 5: 2
H-bond acceptors ≤ 10: 2

Passes all four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Danger

Most widely reported: 787 company reports to ECHA. Source [6].

Corrosive
Acute toxicity
Harmful or irritant
Health hazard
Environmental hazard

NFPA 704[4]

H301Toxic if swallowed (53.5% of reports)
H302Harmful if swallowed (45.9% of reports)
H310Fatal in contact with skin (44% of reports)
H311Toxic in contact with skin (55.4% of reports)
H314Causes severe skin burns and eye damage (32.4% of reports)
H315Causes skin irritation (66.8% of reports)
H317May cause an allergic skin reaction (56.2% of reports)
H318Causes serious eye damage (66.5% of reports)
H331Toxic if inhaled (63.7% of reports)
H332Harmful if inhaled (28% of reports)
H361Suspected of damaging fertility or the unborn child (24.8% of reports)
H373May causes damage to organs through prolonged or repeated exposure (51.8% of reports)
H400Very toxic to aquatic life (59.6% of reports)
H410Very toxic to aquatic life with long lasting effects (25.8% of reports)
H411Toxic to aquatic life with long lasting effects (70.8% of reports)

Precautionary statements: P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501

View all classifications (2)

[6] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.6% (5 of 787) of reports.
[6] European Chemicals Agency (ECHA) · 787 reports · DangerH301, H302, H310, H311, H314, H315, H317, H318, H331, H332, H361, H373, H400, H410, H411

First aid

Eyes: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. Immediately transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
General First Aid: · Call 911 or emergency medical service. · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination. · Move victim to fresh air if it can be done safely. · Administer oxygen if breathing is difficult. · If victim is not breathing: -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance. -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped…[7]
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer for medical attention .[3]

Storage

Separated from oxidants, metals and food and feedstuffs. Keep in a well-ventilated room.[3]
Separated from oxidants, metals, food and feedstuffs. Keep in a well-ventilated room.[4]

Incompatibilities

Reacts with oxidants and metals.[4]

Safety data sheets on the supplier’s page: abcr GmbH, LGC Standards, Thermo Fisher Scientific.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[7]Emergency Response Guidebook (ERG) · Public domain (US DOT) · via PubChem · retrieved 2026-10-14
[8]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[10]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[11]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.