基本情報
- CAS
532-32-1- 標準SMILES
O=C([O-])c1ccccc1.[Na+]- InChIKey
WXMKPNITSTVMEF-UHFFFAOYSA-M- 分子式
- C7H5NaO2
- 平均分子量
- 144.1 g/mol
- 単同位体質量
- 144.01872368
名称と識別子
- 優先名称
- Sodium Benzoate
- IUPAC
- sodium benzoate
- 現地名
- 安息香酸ナトリウム
- 英語名
- Sodium benzoate
- 分子式
- C7H5NaO2
- 分子量
- 144.10317
名称と別名
名称をさらに表示
データベース識別子
- CAS
532-32-1- PubChem CID
- 517055
- DTXSID
DTXSID1020140- ChEMBL
CHEMBL1356- ChEBI
CHEBI:113455- UNII
- OJ245FE5EU
- EC Number
- 208-534-8
- Nikkaji
- J3.287E
物性
構造計算による物性
- 極性表面積
- 40.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 108
物理化学的性質
- 融点
- 300 °C · >300 °C (lit.)
- 比重(密度)
- 1 · 1,44 g/cm3
- 蒸気圧
- 0 Pa · 0Pa at 20℃
- FEMA
- 3025 · 3025 | SODIUM BENZOATE
- 闪点
- 100 °C · >100°C
- 貯蔵温度
- room temp
- 溶解性
- 2 O: · H2O: 1M at20℃、透明、無色
- 酸解離定数(Pka)
- 4.03 · 4.03[at 20 ℃]
- 外見
- 結晶、顆粒、フレークまたは結晶性粉末
- 色
- 白い
- PH
- 7 · 7.0-8.5 (25℃, 1M in H2O)
- 臭い (Odor)
- 無臭
- 由来生物
- synthetic
- 水溶解度
- 溶ける
- Merck
- 14 · 14,8582
- BRN
- 3572467 · 3572467
- 安定性
- 安定していますが、湿気に弱い場合があります。強力な酸化剤、アルカリ、無機酸とは相容れない。
- 化粧品成分の機能
- 香料防錆剤防腐剤
- InChI
- 1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
- InChIKey
- WXMKPNITSTVMEF-UHFFFAOYSA-M
- SMILES
- [Na+].[O-]C(=O)c1ccccc1
- LogP
- 1.88 · 1.88
- CAS データベース
- 532 · 532-32-1(CAS DataBase Reference)
- NISTの化学物質情報
- Sodium benzoate(532-32-1)
- EPAの化学物質情報
- Sodium benzoate (532-32-1)
化学的性質
化学的特性Sodium benzoate is a white crystalline solid. It is odorless and nonflammable
安全と法規制
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- DH6650000
- 毒性
- LD50 orally in rats: 4.07 g/kg (Smyth, Carpenter)
- hs_code
- 29163100
- risk_code
- 36/37/38-62-63-68-36
- 化審法
- (3)-1272, (3)-1293
- hazard_code
- Xi
- safety_code
- 24/25-36-26
- 自然発火温度
- >500°C
- Hazard Classifications
- Eye Irrit. 2
- ストレージクラス
- 13 - Non Combustible Solids
- 有毒物質データの
- 532-32-1(Hazardous Substances Data)
化学と産業
応用分野
用途清涼飲料、しょう油
説明Sodium benzoate has the chemical formula NaC7H5O2; it is a widely used food preservative, with E number E211. It is the sodium salt of benzoic acid and exists in this form when dissolved in water. It can be produced by reacting sodium hydroxide with benzoic acid.
天然物の起源Benzoic acid occurs naturally in many plants and in animals. The salt is not found to occur naturally.
来歴In 1820, benzoic acid was discovered by German chemist Friedrich Wöhler through the oxidation of toluene. His research laid the groundwork for the eventual production of sodium benzoate. The process typically involves neutralizing benzoic acid with sodium hydroxide, creating sodium benzoate—a stable compound with excellent antibacterial and antifungal properties. Sodium benzoate was commercially introduced in the late 19th century. Its preservative qualities made it particularly valuable as food products began to be mass-produced and distributed. In 1908, sodium benzoate was recognized as a food preservative by the U.S. Food and Drug Administration (FDA). This allowed it to be used in various food products, including soft drinks, pickles, and sauces, to prevent spoilage and extend shelf life.
使用sodium benzoate is a non-toxic, organic salt preservative that is particularly effective against yeast, with some activity against molds and bacteria. It is generally used in concentrations of 0.1 to 0.2 percent.
一般的な説明Sodium benzoate is a sodium salt of benzoic acid, that is freely soluble in water compared to benzoic acid. It is generally used as an antimicrobial preservative in cosmetics, food, and pharmaceuticals.Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards.
調製方法
製造方法Produced by the neutralization of benzoic acid with sodium bicarbonate, sodium carbonate or sodium hydroxide.
Sodium benzoate is prepared by adding benzoic acid to a hot concentrated solution of sodium carbonate until effervescence ceases. The solution is then evaporated, cooled and allowed to crystallize or evaporate to dryness, and then granulated.
純化方法Crystallise it from EtOH (12mL/g). [Beilstein 9 IV 27.]
上流・下流製品情報
上流原料
下流製品
サプライヤー100 社
補足説明
定義本品は、安息香酸(*)のナトリウム塩であり、次の化学式で表される。参照表示名称:安息香酸
定義sodium benzoate: An either colourlesscrystalline or white amorphouspowder, C6H5COONa, soluble inwater and slightly soluble in ethanol.It is made by the reaction of sodiumhydroxide with benzoic acid and isused in the dyestuffs industry and asa food preservative. It was formerlyused as an antiseptic.
関連反応
化合物ノート
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