基本情報
- CAS
2090-05-3- 標準SMILES
O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Ca+2]- InChIKey
NSQPPSOSXWOZNH-UHFFFAOYSA-L- 分子式
- C14H10CaO4
- 平均分子量
- 282.3 g/mol
- 単同位体質量
- 282.0204996
名称と識別子
- 優先名称
- Calcium Benzoate
- IUPAC
- calcium dibenzoate
- 現地名
- ビス(安息香酸)カルシウム
- 英語名
- Calcium benzoate
- 分子式
- C7H8CaO2
- 分子量
- 164.22
名称と別名
Calcium benzoateCalcium dibenzoate2090-05-3Benzoic acid, calcium salt3QDE968MKDBENZOCALOLMONOCALCIUM BENZOATEUNII-3QDE968MKDCALCIUM BENZOATE [FCC]INS NO.213DTXSID4044612INS-213
名称をさらに表示
ビス(安息香酸)カルシウム二(安息香酸)カルシウム安息香酸カルシウム二安息香酸カルシウム安息香酸カルシウム三水和物CalciumdibenzoatBenzoic acid calciumBenzoicacid,calciumsaltCALCIUM BENZOATE REAGENTDibenzoic acid calcium saltDi(benzoic acid)calcium saltBis(benzoic acid)calcium saltBenzoic acid, calcium salt (2:1)
CALCIUM BENZOATE [USP-RS]CALCIUM BENZOATE (E 213)EINECS 218-235-4E-213CALCIUM BENZOATE (USP-RS)E Number: 213RefChem:122766CALCIUM BENZOATE [INCI]
データベース識別子
- CAS
2090-05-3- PubChem CID
- 62425
- DTXSID
DTXSID4044612- UNII
- 3QDE968MKD
- EC Number
- 218-235-4
- Nikkaji
- J38.386D
物性
構造計算による物性
- 極性表面積
- 80.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 98
実験および物理化学的性質
Cosmetics
Cosmetic ingredients (Calcium Benzoate) -> CIR (Cosmetic Ingredient Review)
Preservative
Food AdditivesANTIMICROBIAL AGENT -> FDA Substance added to food
Melting Pointfor benzoic acidMelting range of benzoic acid isolated by acidification and not recrystallised 121,5 °C to 123,5 °C, after vacuum drying in a sulphuric acid desiccator
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionWhite or colourless crystals, or white powder
物理化学的性質
- 沸点
- 249.2 ℃[at · 249.2℃[at 101 325 Pa]
- 比重(密度)
- 1.42 · 1.42[at 20℃]
- 蒸気圧
- 0.093 Pa · 0.093Pa at 25℃
- 水溶解度
- 0 ℃で2.6g/100ml）。 · 水に可溶（0℃で2.6g/100ml）。
- 化粧品成分の機能
- 防腐剤
- LogP
- 1.87 · 1.87
- CAS データベース
- 2090 · 2090-05-3(CAS DataBase Reference)
- EPAの化学物質情報
- Calcium benzoate (2090-05-3)
化学的性質
化学的特性White or colorless orthorhombic crystals or a white powder. It has slight solubility in water and high solubility in hot water. The compound is highly stable at room temperature.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 16.7% (11 of 66) of reports.
Warning
H319 (83.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Benzoic acid, calcium salt
Regulation (EC) No 257/2010
REACH registered substance: Calcium dibenzoate (EC: 218-235-4)
Calcium benzoate: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Benzoic acid, calcium salt: Environment tier I assessment
Hazard Classes and CategoriesEye Irrit. 2 (83.3%)
毒性情報
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
UsesCIR ingredient: Calcium Benzoate
Use Classification
Food additives
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Food Additives -> PRESERVATIVE -> JECFA Functional Classes
Cosmetics -> Preservative
General Manufacturing InformationBenzoic acid, calcium salt (2:1): ACTIVE
応用分野
説明Calcium benzoate refers to the calcium salt of benzoic acid. When used in the food industry as a preservative, its E number is E213 (INS number 213); it is approved for use as a food additive in the EU, USA and Australia and New Zealand. The formulas and structures of calcium carboxylate derivatives of calcium and related metals are complex. Generally the coordination number is eight and the carboxylates form Ca-O bonds. Another variable is the degree of hydration.
使用Calcium benzoate hydrate is used in used in the food industry as a preservative. It is also utilized as a preservative and growth promoter in the feed industry.
調製方法
製造方法Calcium benzoate is prepared by reacting benzoic acid and calcium bicarbonate.
純化方法Calcium benzoate (3H2O) [2090-05-3] M 336.4. Recrystallise it from water (10m/g) between 90o and 0o. [Beilstein 9 I 60, 9 H 85, 9 III 377, 9 IV 280.]
上流・下流製品情報
上流原料
下流製品
サプライヤー61 社
北京华美互利生物化工010-56205725 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Hebei Zhuanglai Chemical Trading Co.,Ltd13343047651 · [email protected]
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…