基本情報
- CAS
2191-10-8- 標準SMILES
CCCCCCCC(=O)[O-].CCCCCCCC(=O)[O-].[Ca+2]- InChIKey
NDWWLJQHOLSEHX-UHFFFAOYSA-L- 分子式
- C16H30CaO4
- 平均分子量
- 326.48 g/mol
- 単同位体質量
- 326.1770003
概要
See also: Octanoic acid, cadmium salt (2:1) (annotation moved to).
名称と識別子
- 優先名称
- Calcium octanoate
- IUPAC
- calcium bis(octanoate)
名称と別名
CALCIUM OCTANOATEcalcium caprylateOctanoic acid, calcium salt6107-56-8606VZD154TDTXSID7052280RefChem:1080697DTXCID7030852228-067-3Cadmium octoateCalcium di(octanoate)Cadmium caprylate
名称をさらに表示
Cadmium di(octanoate)Cadmium octanoateOctanoic acid, cadmium saltOctanoic acid, calcium salt (2:1)UNII-606VZD154TCALCIUM DIOCTANOATEEINECS 228-067-3CALCIUM N-OCTANOATE
データベース識別子
- CAS
2191-10-8、6107-56-8- PubChem CID
- 16610
- DTXSID
DTXSID7052280- UNII
- 606VZD154T
- EC Number
- 228-067-3
- Nikkaji
- J43.238E
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
- 10
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 83.7
実験および物理化学的性質
Food AdditivesANTICAKING AGENT OR FREE-FLOW AGENT, EMULSIFIER OR EMULSIFIER SALT, LUBRICANT OR RELEASE AGENT -> FDA Substance added to food
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
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 7.1% (8 of 113) of reports.
Warning
H302 (92%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 113 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Octanoic acid, calcium salt
Directive (EC) No 46/2002
REACH registered substance: Calcium di(octanoate) (EC: 228-067-3)
Octanoic acid, calcium salt: 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 - Octanoic acid, calcium salt: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (92%)
化学と産業
用途と製造
Use ClassificationFood Additives -> ANTICAKING_AGENT; EMULSIFIER -> JECFA Functional Classes
General Manufacturing InformationOctanoic acid, calcium salt (2:1): ACTIVE
関連反応
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化合物ノート
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