Tween 20 fatty acid part (C12H24O2): structure, properties and hazards

Names and identifiers

IUPAC name: dodecanoic acid
Synonyms: polysorbate 20, Tween, lauric acid ester
+ 40 more
nonionic detergent, lauric acid, DODECANOIC ACID, n-Dodecanoic acid, Dodecylic acid, Laurostearic acid, Vulvic acid, Dodecoic acid, Duodecylic acid, 1-Undecanecarboxylic acid, Aliphat No. 4, Ninol AA62 Extra, Wecoline 1295, Hydrofol acid 1255, Hydrofol acid 1295, Univol U-314, Duodecyclic acid, Hystrene 9512, Lauric acid, pure, Laurinsaeure, Undecane-1-carboxylic acid, NSC-5026, C-1297, FEMA No. 2614, Philacid 1200, C12:0, Emery 651, Lunac L 70, DTXSID5021590, CHEBI:30805, Kortacid 1299, Lunac L 98, Univol U 314, Prifac 2920, 1160N9NU9U, DTXCID801590, 205-582-1, Nuvail, fatty acid 12:0, LAUREL BERRIES
Molecular formula: C₁₂H₂₄O₂
Empirical formula: C₆H₁₂O
Molecular weight: 200.32 g/mol
Exact mass: 200.17763
CAS number: 9005-64-5
PubChem CID: 3893
Canonical SMILES: CCCCCCCCCCCC(=O)O
Isomeric SMILES: CCCCCCCCCCCC(=O)O
InChI: InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
InChIKey: POULHZVOKOAJMA-UHFFFAOYSA-N
Molfile

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

Physical properties

TemperaturePressureDensity

Appearance: Colorless needles[3]
3 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Lauric acid is a white solid with a slight odor of bay oil. (USCG, 1999) [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.
– Large Crystals; Other Solid; Dry Powder; Liquid; Other Solid; Liquid [2] EPA Chemical Data Reporting (CDR)
–shown Colorless needles [3] 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. 654
Odor: Characteristic, like oil of bay[3]
Melting point: 44 °C (111 °F, NTP 1992)[1]
Boiling point: 225 °C (437 °F) at 100 mmHg (NTP, 1992)[1]
Density: 0.883 (USCG, 1999) - Less dense than water[1]
Solubility in water: In water, 4.81 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 70 °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.
– Slightly soluble in chloroform; soluble in acetone, petroleum ether; very soulble in methanol, ethanol; miscible with benzene [3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2546
–shown In water, 4.81 mg/L at 25 °C [3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH et al; Arizona Data Base of Water Solubility (1989)
log P: log Kow = 4.60[3]
pKa: pKa = 5.3 at 20 °C[3]
Vapor pressure: 760 mmHg at 299.2 °C (570.6 °F, NTP 1992)[1]
3 values
Only one source reports it.
Value As written Source
1 mmHg 1 mmHg at 250 °F [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.
5 mmHg 5 mmHg at 303.1 °F [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.
760 mmHgshown 760 mmHg at 570.6 °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.
Flash point: 113 °C (235 °F, NTP 1992)[1]
Viscosity: Reported, but no value passed the checks.
The value and why
7.30 mPa.sec at 50 °C (could not be read; source [3])

Value	As written	Source
–	Lauric acid is a white solid with a slight odor of bay oil. (USCG, 1999)	[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.
–	Large Crystals; Other Solid; Dry Powder; Liquid; Other Solid; Liquid	[2] EPA Chemical Data Reporting (CDR)
–shown	Colorless needles	[3] 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. 654

Value	As written	Source
–	less than 1 mg/mL at 70 °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.
–	Slightly soluble in chloroform; soluble in acetone, petroleum ether; very soulble in methanol, ethanol; miscible with benzene	[3] Hazardous Substances Data Bank (HSDB)cites Lide, D.R., G.W.A. Milne (eds.). Handbook of Data on Organic Compounds. Volume I. 3rd ed. CRC Press, Inc. Boca Raton ,FL. 1994., p. V3: 2546
–shown	In water, 4.81 mg/L at 25 °C	[3] Hazardous Substances Data Bank (HSDB)cites Yalkowsky SH et al; Arizona Data Base of Water Solubility (1989)

Value	As written	Source
1 mmHg	1 mmHg at 250 °F	[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.
5 mmHg	5 mmHg at 303.1 °F	[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.
760 mmHgshown	760 mmHg at 570.6 °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.

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: 14
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.92
H-bond donors: 1
H-bond acceptors: 1 computed here · PubChem 2
Rotatable bonds: 10
TPSA (Å²): 37.3
Formal charge: 0
XLogP3: 4.2 PubChem
Complexity: 132 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

C71.95%
H12.08%
O15.97%

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: 3.99 Crippen (Wildman and Crippen 1999)
log S (water solubility): -2.94 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 1.58 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 200.32
log P ≤ 5 (Crippen): 3.99
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 1

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: 2,566 company reports to ECHA. Source [4].

Corrosive
Harmful or irritant

H315Causes skin irritation (13.3% of reports)
H318Causes serious eye damage (76.5% of reports)
H319Causes serious eye irritation (21.6% of reports)

Precautionary statements: P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, P362+P364

View all classifications (2)

[4] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 1.5% (38 of 2566) of reports.
[4] European Chemicals Agency (ECHA) · 2,566 reports · DangerH315, H318, H319

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]

Incompatibilities

Can react with oxidizing materials.[3]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, TimTec, MP Biomedicals.

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]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]NMRShiftDB · Linked only · via PubChem · retrieved 2026-10-14
[6]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[7]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[8]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
[9]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[10]NIST Mass Spectrometry Data Center · 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%.