Sucrose (C12H22O11): structure, properties and hazards

Names and identifiers

IUPAC name: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms: table sugar, saccharose, cane sugar
+ 40 more
beet sugar, sucrose, C12H22O11, sugar, Table sugar, Cane sugar, White sugar, Saccharum, Microse, Rock candy, Amerfand, Confectioner's sugar, Sucraloxum, Amerfond, beta-D-Fructofuranosyl-alpha-D-glucopyranoside, beta-D-Fructofuranosyl alpha-D-glucopyranoside, DTXSID2021288, alpha-D-Glucopyranosyl beta-D-fructofuranoside, NCI-C56597, (+)-Sucrose, (alpha-D-Glucosido)-beta-D-fructofuranoside, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, CHEBI:17992, Fructofuranoside, alpha-D-glucopyranosyl, beta-D, Glucopyranoside, beta-D-fructofuranosyl, alpha-D, alpha-D-Glucopyranoside, beta-D-fructofuranosyl-, GNE-410, S-67F, SACCHARUM OFFICINALE, C151H8M554, NSC-406942, DTXCID101288, 1-alpha-D-glucopyranosyl-2-beta-D-fructofuranoside, (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol, alpha-D-glucopyranosyl-(1->2)-beta-D-fructofuranoside, Saccarose, (2R,3R,4S,5S,6R)-2-(((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy)-6-(hydroxymethyl)oxane-3,4,5-triol, (2R,3R,4S,5S,6R)-2-((2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol, Sucrose 15%
Molecular formula: C₁₂H₂₂O₁₁
Empirical formula: C₁₂H₂₂O₁₁
Molecular weight: 342.3 g/mol
Exact mass: 342.11621
CAS number: 57-50-1
PubChem CID: 5988
Canonical SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
Isomeric SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
InChIKey: CZMRCDWAGMRECN-UGDNZRGBSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Hard, white ... crystals, lumps, or powder ...[6]
6 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Sucrose appears as white odorless crystalline or powdery solid. Denser than water. [1] CAMEO Chemicals
– Liquid; Liquid; Other Solid; Large Crystals; Other Solid [2] EPA Chemical Data Reporting (CDR)
– WHITE SOLID IN VARIOUS FORMS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– Hard, white, odorless crystals, lumps, or powder. [4] Occupational Safety and Health Administration (OSHA)
– Hard, white, odorless crystals, lumps, or powder. [Note: May have a characteristic, caramel odor when heated.] [5] The National Institute for Occupational Safety and Health (NIOSH)
–shown Hard, white ... crystals, lumps, or powder ... [6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288
Odor: ... Odorless ... [Note: May have a characteristic caramel odor when heated].[6]
Melting point: 160 to 186 °C (320 to 367 °F) (decomposes) (NTP, 1992)[1]
3 values
3 of 3 sources agree on it (most common value).
Value As written Source
160 to 186 °Cshown 320 to 367 °F (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.
160 to 186 °C 320-367 °F (decomposes) [4] Occupational Safety and Health Administration (OSHA)
160 to 186 °C 320-367 °F (Decomposes) [5] The National Institute for Occupational Safety and Health (NIOSH)
Boiling point: Reported, but no value passed the checks.
The value and why
Decomposes (NTP, 1992) (could not be read; source [1])
Density: 1.59 at 20 °C (68 °F) (USCG, 1999) - Denser than water[1]
4 values
4 of 4 sources agree on it (most common value).
Value As written Source
–shown 1.59 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– 1.6 g/cm³ [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 1.59 [4] Occupational Safety and Health Administration (OSHA)
– 1.59 [5] The National Institute for Occupational Safety and Health (NIOSH)
Solubility in water: Solubility in water, g/100ml at 25 °C: 200[3]
4 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 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.
– water solubility = 2.12X10+6 mg/l @ 25 °C [6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)
–shown Solubility in water, g/100ml at 25 °C: 200 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
– 200% [5] The National Institute for Occupational Safety and Health (NIOSH)
log P: -3.67[3]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– log Kow = -3.70 [6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 107
–shown -3.67 [3] ILO-WHO International Chemical Safety Cards (ICSCs)
Vapor pressure: Reported, but no value passed the checks.
The 3 values and why
0 mmHg (approx) (NIOSH, 2024) (no temperature given; source [1])
0 mmHg (approx) (no temperature given; source [4])
0 mmHg (approx) (no temperature given; source [5])

Value	As written	Source
–	Sucrose appears as white odorless crystalline or powdery solid. Denser than water.	[1] CAMEO Chemicals
–	Liquid; Liquid; Other Solid; Large Crystals; Other Solid	[2] EPA Chemical Data Reporting (CDR)
–	WHITE SOLID IN VARIOUS FORMS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	Hard, white, odorless crystals, lumps, or powder.	[4] Occupational Safety and Health Administration (OSHA)
–	Hard, white, odorless crystals, lumps, or powder. [Note: May have a characteristic, caramel odor when heated.]	[5] The National Institute for Occupational Safety and Health (NIOSH)
–shown	Hard, white ... crystals, lumps, or powder ...	[6] Hazardous Substances Data Bank (HSDB)cites NIOSH. NIOSH Pocket Guide to Chemical Hazards. DHHS (NIOSH) Publication No. 97-140. Washington, D.C. U.S. Government Printing Office, 1997., p. 288

Value	As written	Source
160 to 186 °Cshown	320 to 367 °F (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.
160 to 186 °C	320-367 °F (decomposes)	[4] Occupational Safety and Health Administration (OSHA)
160 to 186 °C	320-367 °F (Decomposes)	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–shown	1.59 at 68 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	1.6 g/cm³	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	1.59	[4] Occupational Safety and Health Administration (OSHA)
–	1.59	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	greater than or equal to 100 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.
–	water solubility = 2.12X10+6 mg/l @ 25 °C	[6] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH, Dannenfelser RM; The AQUASOL dATAbASE of Aqueous Solubility. Fifth Ed, Tucson, AZ: Univ Az, College of Pharmacy (1992)
–shown	Solubility in water, g/100ml at 25 °C: 200	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–	200%	[5] The National Institute for Occupational Safety and Health (NIOSH)

Value	As written	Source
–	log Kow = -3.70	[6] Hazardous Substances Data Bank (HSDB)cites Hansch, C., Leo, A., D. Hoekman. Exploring QSAR - Hydrophobic, Electronic, and Steric Constants. Washington, DC: American Chemical Society., 1995., p. 107
–shown	-3.67	[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: 23
Rings: 2
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 1
H-bond donors: 8
H-bond acceptors: 11
Rotatable bonds: 5
TPSA (Å²): 189.5 computed here · PubChem 190
Formal charge: 0
XLogP3: -3.7 PubChem
Complexity: 395 PubChem
Stereocenters: 9 definedCIP: C3: R · C5: S · C9: R · C11: R · C14: S · C16: S · C18: R · C20: 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

C42.11%
H6.48%
O51.41%

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: -5.4 Crippen (Wildman and Crippen 1999)
log S (water solubility): 1.77 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 4.48 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 342.3
log P ≤ 5 (Crippen): -5.4
H-bond donors ≤ 5: 8
H-bond acceptors ≤ 10: 11

Breaks 2 of the 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

This chemical does not meet GHS hazard criteria for 95.7% (423 of 442) of all reports.[7]

Exposure limits

PEL-TWA (8-Hour Time Weighted Average): 15 mg/m³ (total dust), 5 mg/m³ (respirable fraction)[4]
PEL: TWA 15 mg/m3 (total) TWA 5 mg/m3 (resp)[5]
REL-TWA (Time Weighted Average): 10 mg/m³ (total), 5 mg/m³ (resp)[4]
REL: TWA 10 mg/m3 (total) TWA 5 mg/m3 (resp)[5]
TLV: 10 mg/m[3]
TLV-TWA (Time Weighted Average): 10 mg/m³ [1992][4]

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. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital. Skin: Immediately flood affected skin with water while removing and isolating all contaminated clothing.[1]
(General first aid procedures) Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately. Breathing: Fresh air[5]
Fresh air, rest.[3]
Rinse skin with plenty of water or shower.[3]

Storage

Separated from strong oxidants.[3]

Incompatibilities

Oxidizers, sulfuric acid, nitric acid.[6]
Oxidizers, sulfuric acid, nitric acid[5]

Safety data sheets on the supplier’s page: Biosynth, Oakwood Products, CATO Research Chemicals Inc..

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]Occupational Safety and Health Administration (OSHA) · Public domain (US DOL) · via PubChem · retrieved 2026-10-14
[5]The National Institute for Occupational Safety and Health (NIOSH) · Public domain (US CDC) · via PubChem · retrieved 2026-10-14
[6]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[8]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[9]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[10]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[11]MassBank of North America (MoNA) · CC BY 4.0 · 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%.