InChI=1/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1

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Search term: C3H6O2
Found by conversion query string to chemical structure (full match)

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Inherent Properties, Identifiers and References

ChemSpider ID:	8399
Empirical Formula:	C₃H₅NaO₂
Molecular Weight:	96.0604
Nominal Mass:	96 Da
Average Mass:	96.0604 Da
Monoisotopic Mass:	96.018724 Da

Systematic Name:

sodium propanoate

SMILES:

[Na+].[O-]C(=O)CC

InChI:

InChI=1/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1

InChIKey:

JXKPEJDQGNYQSM-REWHXWOFAH

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Wikipedia Article(s)

Sodium propionate or sodium propanoate is the sodium salt of propionic acid which has the chemical formula Na(C₂H₅C O O). Read more... or Edit at Wikipedia...

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Supplemental Information

User Data

experimental physchem properties

Melting Point: 285-286

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

Melting Point: 285 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

miscellaneous

Appearance: white powder

Visual appearance of the given substance.

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

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

Toxicity: ORL-MUS LD50 6332 mg kg-1, SCU-MUS LD50 2100 mg kg-1, SKN-RBT LD50 1640 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: WARNING: Harmful through skin absorbtion or ingestion.

See Chemical Safety

Safety: Safety glasses.

See Chemical Safety

Names and Synonyms

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

SODIUM PROPIONATE

137-40-6 [RN]

205-290-4 [EINECS/ELINCS]

264-460-6 [EINECS/ELINCS]

63785-15-9 [RN]

686-67-9 [RN]

8027-08-5 [RN]

Bioban-S

Deketon

Impedex

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Database ID(s)

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Predicted Properties

LogP:	ACD/LogP: 0.25	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	-0.54	ACD/LogD (pH 7.4):	-2.33
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	5.3	ACD/KOC (pH 7.4):	1
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	1	Polar Surface Area:	37.3 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	57.7 °C	Enthalpy of Vaporization:	40.08 kJ/mol
Boiling Point:	141.7 °C at 760 mmHg	Vapour Pressure:	4.23 mmHg at 25°C

MeSH

Spectra

Type: HNMR

Associated Hyperlink: http://mmcd.nmrfam.wisc.edu/rawnmr/expnmr_00148_1.tar

Comments: Madison Metabolomics Consortium Database Spectrum, Q. Cui, et al; "Metabolite identification via the Madison Metabolomics Consortium Database", Nature Biotechnology, 26,162 (2008). Deposited by Chris Singleton, Chemspider Advisory Group.

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Type: CNMR

Associated Hyperlink: http://mmcd.nmrfam.wisc.edu/rawnmr/expnmr_00148_3.tar

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