sodium propanoate

ChemSpider ID: 8399
Molecular Formula: C₃H₅NaO₂
Average mass: 96.060402 Da
Monoisotopic mass: 96.018723 Da
Systematic name

Sodium propionate
SMILES and InChIs

SMILES:

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

Std. InChI:

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

Std. InChIKey:

JXKPEJDQGNYQSM-UHFFFAOYSA-M Copied
Cite this record
CSID:8399, http://www.chemspider.com/Chemical-Structure.8399.html (accessed 07:31, May 22, 2013) Copied

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

Sodium propionate anhydrous

propanoic acid, sodium salt (1:1) [ACD/Index Name]

sodium propanoate

Sodium Propionate [ACD/IUPAC Name]

137-04-6

137-40-6 [RN]

205-290-4 [EINECS]

264-460-6 [EINECS]

63785-15-9 [RN]

6700-17-0 [RN]

More...

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

18108_RIEDEL [DBID]

Caswell No. 707A [DBID]

CCRIS 1896 [DBID]

EPA Pesticide Chemical Code 077703 [DBID]

HSDB 766 [DBID]

LS-2376 [DBID]

MFCD00002759 [DBID]

P1880_SIGMA [DBID]

P5436_SIGMA [DBID]

W518905_ALDRICH [DBID]

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Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties

Experimental Melting Point:

285-286 deg C (285-286 °C) Alfa Aesar

285 C (285 °C) Oxford University Chemical Safety Data

Miscellaneous

Appearance:

white powder Oxford University Chemical Safety Data

Stability:

Stable. Incompatible with strong oxidizing agents. Hygroscopic. Oxford University Chemical Safety Data

Toxicity:

ORL-MUS LD50 6332 mg kg-1, SCU-MUS LD50 2100 mg kg-1, SKN-RBT LD50 1640 mg kg-1 Oxford University Chemical Safety Data

Safety:

Safety glasses. Oxford University Chemical Safety Data

WARNING: Harmful through skin absorbtion or ingestion. Alfa Aesar

WARNING:Harmful by skin absorption/ingestion, irritates skin Alfa Aesar

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:	0.246	# 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):	1.00	ACD/BCF (pH 7.4):	1.00
ACD/KOC (pH 5.5):	5.30	ACD/KOC (pH 7.4):	1.00
#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

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sodium propanoate

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