InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

Please login to be able to add spectra, identifiers, links and publications.

Comments

Please leave your feedback here

Thank you for your assistance in curating the data on ChemSpider. We welcome your feedback. Please add any comments you have regarding observed errors in any of the associated text, properties or chemical structures.

E-mail:
Please enter identifier(s) one per line
Add:

Creative Commons Attribution-ShareAlike 3.0 United States

Inherent Properties, Identifiers and References

load save zoom jmol

ChemSpider ID:	1005
Empirical Formula:	C₃H₆O₂
Molecular Weight:	74.0785
Nominal Mass:	74 Da
Average Mass:	74.0785 Da
Monoisotopic Mass:	74.036779 Da

Systematic Name:

propionic acid

SMILES:

O=C(O)CC

InChI:

InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)

InChIKey:

XBDQKXXYIPTUBI-UHFFFAOYAP

License

Original Reference(s)

Propionic acid (systematically named propanoic acid) is a naturally-occurring carboxylic acid with chemical formula C H₃CH₂COOH. In the pure state, it is a colorless, corrosive liquid with a pungent odor. The anion CH₃CH₂COO⁻ as well as the salts and esters of propionic acid are known as propionates (or propanoates). Read more... or Edit at Wikipedia...

Data Source	External ID(s)
AKos	AKI-BBS-00003731
BIND	692
BioCyc	PROPIONATE
CambridgeSoft Corporation	8076
ChEBI	CHEBI:17272, CHEBI:30768
ChemBank	NCIStruc1_001016, NCIStruc1_001224, NCIStruc2_001773, NCIStruc1_001833, NCIStruc2_000919, NCIStruc2_001148
ChemDB	3969635, 4911473, 4916824, 4944677, 5093471, 5129260, 5229329, 5263227, 5263288, 6635081, ...
ChemExper Chemical Directory	HmTB`HRn@hReYojfZ`@@, sGPhIahIK]M@@, sJP`@dfvh@@
ChemIDplus	000072037, 000079094, 000137406, 000557288, 000327628, 000557277, 004075814, 001560696, 000814700, 003465734, ...
DiscoveryGate	1032, 104745, 11189, 169262, 197953, 19999, 206710, 2723816, 2734981, 8724, ...
DrugBank	N/A
DTP/NCI	120091, 224326, 353740, 404794, 301994, 306407, 99154, 58969, 93641, 97175
Egon Willighagen	N/A
EPA DSSTox	156_HPVCSI_v2c, 1963_NTPBSI_v2b, 3189_HPVCSI_v2c
Food and Agriculture Organization of the United Nations	2440, Propanoic acid
Human Metabolome Database	HMDB00237
KEGG	C00163, D02310
LeadScope	LS-1771, LS-2376, LS-2409
LipidMAPS	LMFA01010003
MMDB	1544.4, 1546.4, 28932.5, 29072.3, 29149.3, 191.6, 29593.2, 29150.4, 29718.6, 8025.2, ...
Nanogen	PPD (1-081)
NIOSH	UE5950000
NIST	1572918394
NIST Chemistry WebBook	1048110983, 1533450743, 3233027166, 3557578106, 629157762, 1572918394, 844043208, 999566376
NMRShiftDB	7994
Oxford University Chemical Safety Data	N/A, N/A
PubChem	1032
Ryan Scientific	LTBB001652
Single Depositions	1-hydroxy-1-oxopropane, propanoic acid, Propionic acid, propionicacid
Thomson Pharma	00019517, 00021901, 00060433, 00064044, 00065416, 00065985, 00071382, 00074113, 00096743, 00139760, ...
UM-BBD	c0277
Wikipedia	Propionic acid
ZINC	ZINC00895087

Disclaimer (Details...)

Supplemental Information

Links & References

E. L. Willighagen, H. M. G. W. Denissen, R. Wehrens, and L. M. C. Buydens. On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors, J. Chem. Inf. Model., 46 (2), 487-494, 2006

[PubMed: 16562976] [DOI: 10.1021/ci050282s]

User Data

experimental physchem properties

Melting Point: -20.8 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: 286F

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 138.5-142.5°

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 141.1 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: 126F

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: 51 C

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Freezing Point: 5F

No description available

Specific Gravity: 0.99

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 0.993-0.997 (20°/20°)

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Refraction Index: 1.384-1.389

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

logP: 0.33

No description available

Solubility: Miscible

No description available

Ionization Potential: 10.24 eV

No description available

Vapor Pressure: 3 mmHg

No description available

miscellaneous

Appearance: Colorless, oily liquid with a pungent, disagreeable, rancid odor. [Note: A solid below 5F.]

Visual appearance of the given substance.

Appearance: colourless liquid

Visual appearance of the given substance.

Stability: Stable. Incompatible with strong oxidizing agents. Flammable.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Toxicity: IVN-MUS LD50 625 mg kg-1, SKN-RBT LD50 500 mg kg-1

Toxicity is the degree to which something is able to produce illness or damage to an exposed organism. See also: Toxicity and list of used abbreviations.

Safety: Safty glasses, adequate ventilation.

See Chemical Safety

First Aid: Eye: Irrigate immediately Skin: Water flush immediately Breathing: Respiratory support Swallow: Medical attention immediately

No description available

Exposure Routes: inhalation, skin absorption, ingestion, skin and/or eye contact

No description available

Symptoms: Irritation eyes, skin, nose, throat; blurred vision, corneal burns; skin burns; abdominal pain, nausea, vomiting

No description available

Target Organs: Eyes, skin, respiratory system

No description available

Incompatibilities and Reactivities: Alkalis, strong oxidizers (e.g., chromium trioxide) [Note: Corrosive to steel.]

No description available

Personal protection and Sanitation: Skin: Prevent skin contact Eyes: Prevent eye contact Wash skin: When contaminated Remove: When wet or contaminated Change: No recommendation Provide: Eyewash, Quick drench

No description available

Exposure Limits: NIOSH REL : TWA 10 ppm (30 mg/m 3 ) ST 15 ppm (45 mg/m 3 ) OSHA PEL ?: none

No description available

miscellaneous

Appearance: oily liquid/slightly pungent, rancid odour

Visual appearance of the given substance.

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1-hydroxy-1-oxopropane

4-02-00-00695

Propanoic acid

Ethanecarboxylate

Ethylformate

Metacetonate

Methylacetate

Pseudoacetate

(C3-C24) Fatty acids

201-176-3[EINECS]

222-102-6[EINECS]

273-079-4[EINECS]

273-598-6[EINECS]

3349-08-4[RN]

4-02-00-00695 (Beilstein Handbook Reference)

5489-14-5[RN]

557-28-8[RN]

68937-68-8[RN]

68990-37-4[RN]

784139-72-6[RN]

79-09-4[RN]

Acide propionique[French]

Antischim B

Carboxyethane

Ethanecarboxylic acid

ethylformic acid

FLC

hydroacrylic acid

Kyselina propionova[Czech]

Luprosil

Metacetonic acid

Methyl acetic acid

methylacetic acid

Monoprop

PPi

propanoate[Wiki]

Propanoic acid (9CI)

Propioic acid

propionate[Wiki]

propionic acid

Propionic acid (6CI,8CI)

Propionic acid [UN1848] [Corrosive]

Propionoic acid

Propionsaeure

Propkorn

propoic acid

Prozoin

Pseudoacetic acid

PYR

Sentry grain preserver

Tenox P grain preservative

Top distillation cut by-product acids, monobasic (C1-C5)

Toxi-Check

Database ID(s)