Progesterone (C21H30O2): structure, properties and hazards

Names and identifiers

IUPAC name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Synonyms: P4, progestogen, Prometrium
+ 37 more
Pregn-4-ene-3,20-dione, Agolutin, Progestin, Crinone, Utrogestan, Luteol, Gestormone, Glanducorpin, Syngesterone, Cyclogest, Gestone, 4-Pregnene-3,20-dione, Corlutina, Corluvite, Flavolutan, Fologenon, Gynolutone, Hormoflaveine, Hormoluton, Lucorteum, Luteostab, Lutociclina, Lutocyclin, Pregnenedione, Progestasert, Progesterol, Progesteronum, Progestone, Progestron, Corlutin, Corporin, Gesterol, Gestron, Gynlutin, Luteodyn, Luteogan, Luteopur
Molecular formula: C₂₁H₃₀O₂
Empirical formula: C₂₁H₃₀O₂
Molecular weight: 314.5 g/mol
Exact mass: 314.22458
CAS number: 57-83-0
PubChem CID: 5994
Canonical SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
Isomeric SMILES: CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: White crystalline powder[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Progesterone is a white powder. Melting point 121 °C. Stable in air. Insoluble in water. A female sex hormone. Low toxicity. [1] CAMEO Chemicals
– White odorless crystals or powder. [2] Occupational Safety and Health Administration (OSHA)
–shown White crystalline powder [3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1043
Odor: Odorless[3]
Melting point: 121 to 122 °C (250 to 252 °F, NTP 1992)[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
121 to 122 °Cshown 250 to 252 °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.
121 to 122 °C 250-252 °F [2] Occupational Safety and Health Administration (OSHA)
Density: 1.171 at 20 °C (68 °F) (NTP, 1992) - Denser than water[1]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
–shown 1.171 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.
– 1.171 [2] Occupational Safety and Health Administration (OSHA)
Solubility in water: In water, 8.81 mg/L at 25 °C[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– less than 1 mg/mL at 66 °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.
– In double-distilled water, 9.12 mg/L [3] Hazardous Substances Data Bank (HSDB)cites Tabak HH et al; Dev Ind Microbiol 22: 497-519 (1981)
–shown In water, 8.81 mg/L at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 1181
log P: log Kow = 3.87[3]

Value	As written	Source
–	Progesterone is a white powder. Melting point 121 °C. Stable in air. Insoluble in water. A female sex hormone. Low toxicity.	[1] CAMEO Chemicals
–	White odorless crystals or powder.	[2] Occupational Safety and Health Administration (OSHA)
–shown	White crystalline powder	[3] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 1043

Value	As written	Source
121 to 122 °Cshown	250 to 252 °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.
121 to 122 °C	250-252 °F	[2] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
–shown	1.171 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.
–	1.171	[2] Occupational Safety and Health Administration (OSHA)

Value	As written	Source
–	less than 1 mg/mL at 66 °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.
–	In double-distilled water, 9.12 mg/L	[3] Hazardous Substances Data Bank (HSDB)cites Tabak HH et al; Dev Ind Microbiol 22: 497-519 (1981)
–shown	In water, 8.81 mg/L at 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky, S.H., He, Yan., Handbook of Aqueous Solubility Data: An Extensive Compilation of Aqueous Solubility Data for Organic Compounds Extracted from the AQUASOL dATAbASE. CRC Press LLC, Boca Raton, FL. 2003., p. 1181

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: 23
Rings: 4
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.81
H-bond donors: 0
H-bond acceptors: 2
Rotatable bonds: 1
TPSA (Å²): 34.1
Formal charge: 0
XLogP3: 3.9 PubChem
Complexity: 589 PubChem
Stereocenters: 6 definedCIP: C4: S · C7: S · C8: S · C17: R · C19: S · C22: S
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

C80.21%
H9.62%
O10.18%

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: 4.72 Crippen (Wildman and Crippen 1999)
log S (water solubility): -4.7 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 3.95 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 314.47
log P ≤ 5 (Crippen): 4.72
H-bond donors ≤ 5: 0
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: 271 company reports to ECHA. Source [4].

Health hazard
Environmental hazard

H350May cause cancer (12.2% of reports)
H351Suspected of causing cancer (87.1% of reports)
H360May damage fertility or the unborn child (64.6% of reports)
H360FDMay damage fertility; May damage the unborn child (17.3% of reports)
H361Suspected of damaging fertility or the unborn child (16.6% of reports)
H362May cause harm to breast-fed children (51.3% of reports)
H410Very toxic to aquatic life with long lasting effects (10.7% of reports)

Precautionary statements: P203, P260, P263, P264, P270, P273, P280, P318, P391, P405, P501

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]

Storage

Parenteral progesterone preparations, progesterone capsules, progesterone vaginal inserts, and progesterone vaginal gel should be stored at 15-30 °C.[3]

Incompatibilities

A carcinogen.[3]

Safety data sheets on the supplier’s page: Molport, Sigma-Aldrich, Mcule.

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]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[3]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[4]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[5]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[6]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[7]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[8]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[9]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.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.