Home > Compound List > Compound details
156-54-7 molecular structure
click picture or here to close

sodium butanoate

ChemBase ID: 92272
Molecular Formular: C4H7NaO2
Molecular Mass: 110.08695
Monoisotopic Mass: 110.03437375
SMILES and InChIs

SMILES:
O=C(CCC)[O-].[Na+]
Canonical SMILES:
[O-]C(=O)CCC.[Na+]
InChI:
InChI=1S/C4H8O2.Na/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);/q;+1/p-1
InChIKey:
MFBOGIVSZKQAPD-UHFFFAOYSA-M

Cite this record

CBID:92272 http://www.chembase.cn/molecule-92272.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
sodium butanoate
IUPAC Traditional name
sodium butyrate
Synonyms
Butyric acid sodium salt
Sodium butyrate
Sodium butyrate
Sodium butyrate
丁酸 钠盐
丁酸钠
CAS Number
156-54-7
EC Number
205-857-6
MDL Number
MFCD00002816
Beilstein Number
3629439
PubChem SID
24858121
24891873
162078970
PubChem CID
5222465
CHEMBL
62381
Wikipedia Title
Sodium_butyrate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 4.9079223  H Acceptors
H Donor LogD (pH = 5.5) 0.23125745 
LogD (pH = 7.4) -1.5335919  Log P 0.9217588 
Molar Refractivity 32.7087 cm3 Polarizability 8.534485 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
>300°C expand Show data source
250-253 °C(lit.) expand Show data source
250-253°C expand Show data source
Storage Warning
Harmful/Irritant/Hygroscopic/Store under Argon expand Show data source
Hygroscopic expand Show data source
RTECS
ET6400000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) 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
36/37/38 expand Show data source
36/37/38-68 expand Show data source
Safety Statements
26-36/37 expand Show data source
26-37-60 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
H315-H319-H335-H341 expand Show data source
GHS Precautionary statements
P261-P281-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Gene Information
mouse ... ENSMUSG00000061062(15181) expand Show data source
Purity
≥98.5% (GC) expand Show data source
≥99.0% (GC) expand Show data source
98% expand Show data source
98.0-101.0% (calc.on dry substance, T) expand Show data source
98+% expand Show data source
Grade
certified reference material expand Show data source
TraceCERT® expand Show data source
Suitability
corresponds for identity B expand Show data source
corresponds for IR spectroscopy expand Show data source
Impurities
≤0.001% heavy metals expand Show data source
≤1.0 water expand Show data source
≤4% water expand Show data source
≤5000 ppm acetone expand Show data source
Shelf Life
(limited shelf life, expiry date on the label) expand Show data source
Quality Level
GMP expand Show data source
Alkalinity
in accordance expand Show data source
Linear Formula
CH3CH2CH2COONa expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 303410 external link
Packaging
100, 500 g in poly bottle
5 g in glass bottle
Sigma Aldrich - 07596 external link
General description
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO Guide 34. This CRM is traceable to NIST- SRM.Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC
Sigma Aldrich - 19364 external link
Other Notes
Agent which alters chromatin structure1; Enhanced transfection efficiency and improved cell survival after electroporation of G2/M-synchronized cells and treatment with sodium butyrate2.
Sigma Aldrich - B5887 external link
Biochem/physiol Actions
减少 Ca2+ 从胞内储库的释放。抑制组蛋白去乙酰化酶 (HDAC)。诱导某些细胞系的细胞凋亡。
Caution
吸湿
包装
1, 5 g in glass bottle
250 mg in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle