sodium butanoate

• ChemBase ID: 92272
• Molecular Formular: C4H7NaO2
• Molecular Mass: 110.08695
• Monoisotopic Mass: 110.03437375
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 156-54-7
• EC Number: 205-857-6
• MDL Number: MFCD00002816
• Beilstein Number: 3629439
• PubChem SID: 24891873; 162078970; 24858121
• PubChem CID: 5222465
• CHEMBL: 62381
• Wikipedia Title: Sodium_butyrate

CALCULATED PROPERTIES

• Acid pKa: 4.9079223
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.23125745
• LogD (pH = 7.4): -1.5335919
• Log P: 0.9217588
• Molar Refractivity: 32.7087 cm^3
• Polarizability: 8.534485 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300°C; 250-253 °C(lit.); 250-253°C

Safety Information

• Storage Warning: Harmful/Irritant/Hygroscopic/Store under Argon; Hygroscopic
• RTECS: ET6400000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 36/37/38; 36/37/38-68
• Safety Statements: 26-36/37; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H341
• GHS Precautionary statements: P261-P281-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Pharmacology Properties

• Gene Information: mouse ... ENSMUSG00000061062(15181)

Product Information

• Purity: ≥98.5% (GC); ≥99.0% (GC); 98%; 98.0-101.0% (calc.on dry substance, T); 98+%
• Grade: certified reference material; TraceCERT®
• Suitability: corresponds for identity B; corresponds for IR spectroscopy
• Impurities: ≤0.001% heavy metals; ≤1.0 water; ≤4% water; ≤5000 ppm acetone
• Shelf Life: (limited shelf life, expiry date on the label)
• Quality Level: GMP
• Alkalinity: in accordance
• Linear Formula: CH3CH2CH2COONa

DETAILS

Sigma Aldrich - 303410

Packaging
100, 500 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 07596

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

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

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