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137-40-6 molecular structure
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sodium propanoate

ChemBase ID: 91346
Molecular Formular: C3H5NaO2
Molecular Mass: 96.06037
Monoisotopic Mass: 96.01872368
SMILES and InChIs

SMILES:
O=C(CC)[O-].[Na+]
Canonical SMILES:
[O-]C(=O)CC.[Na+]
InChI:
InChI=1S/C3H6O2.Na/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/q;+1/p-1
InChIKey:
JXKPEJDQGNYQSM-UHFFFAOYSA-M

Cite this record

CBID:91346 http://www.chembase.cn/molecule-91346.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium propanoate
IUPAC Traditional name
sodium propionate
Synonyms
Sodium propionate
Sodium propanoate 99%
Propionic acid sodium salt
Sodium propionate
Napropion
Sodium propionate
丙酸 钠盐
丙酸钠
CAS Number
137-40-6
EC Number
205-290-4
MDL Number
MFCD00002759
Beilstein Number
3566934
Merck Index
148669
PubChem SID
162078050
24902079
24850913
PubChem CID
2723816
8724
ATC CODE
QA16QA02
CHEMBL
500826
Chemspider ID
8399
Unique Ingredient Identifier
DK6Y9P42IN
Wikipedia Title
Sodium_propionate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.754671  H Acceptors
H Donor LogD (pH = 5.5) -0.3392157 
LogD (pH = 7.4) -2.115821  Log P 0.47719014 
Molar Refractivity 28.1077 cm3 Polarizability 6.7159452 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
~1 g/mL in water expand Show data source
H2O: soluble0.1 g/mL, clear expand Show data source
Apperance
Transparent crystals expand Show data source
Melting Point
285-286 °C(lit.) expand Show data source
285-286°C expand Show data source
285-291°C expand Show data source
287-289 °C expand Show data source
289 °C expand Show data source
Odor
faint acetic-butyric odor expand Show data source
Storage Warning
Harmful/Hygroscopic expand Show data source
Hygroscopic expand Show data source
RTECS
UF7525000 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
21 expand Show data source
Safety Statements
36/37 expand Show data source
36/37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H312 expand Show data source
GHS Precautionary statements
P280 expand Show data source
P280-P302+P352-P322-P312-P363-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Regulation Compliance
FCC expand Show data source
FDA 21 CFR (150.141) expand Show data source
FDA 21 CFR (150.161) expand Show data source
FDA 21 CFR (179.45) expand Show data source
FDA 21 CFR (180.23) expand Show data source
FDA 21 CFR (184.1784) expand Show data source
Purity
≥98.0% expand Show data source
≥99.0% (NT) expand Show data source
99% expand Show data source
99-100.5% (ex dried subst.) expand Show data source
Grade
Kosher expand Show data source
SAJ first grade expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤1% water (Karl Fischer) expand Show data source
Cation Traces
Fe: ≤30 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Quality
meets analytical specification of NF expand Show data source
Linear Formula
CH3CH2COONa expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - W518905 external link
Packaging
1 kg in poly bottle
1 sample in glass bottle
10, 25 kg in fiber drum
Sigma Aldrich - 109193 external link
Packaging
1 kg in poly bottle
3 kg in poly drum

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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