基本情報
- CAS
19583-54-1- 標準SMILES
C.C.CCCCC(CC)C(=O)O- InChIKey
AYUWWLKEKSJQLT-UHFFFAOYSA-I- 分子式
- C10H24O2
- 平均分子量
- 176.3 g/mol
- 単同位体質量
- 176.17763
名称と識別子
- 優先名称
- Hexanoic acid, 2-ethyl-, iron(2+) iron(3+) salt (1:?:?)
- IUPAC
- 2-ethylhexanoic acid;methane
- 現地名
- 2-エチルヘキサン酸/鉄(II)/鉄(III),(1:x:x)
- 英語名
- 2-ethylhexanoic acid, iron(2+) iron(3+) salt
- 分子式
- C40H75Fe2O10
- 分子量
- 827.7075
名称と別名
Iron 2-ethylhexanoateFerric ferrous 2-ethylhexanoateEINECS 269-240-368201-81-0Hexanoic acid, 2-ethyl-, iron(2+) iron(3+) saltHexanoic acid, 2-ethyl-, iron(2+) iron(3+) salt (1:?:?)RefChem:146198DTXSID20101117119583-54-12-Ethylhexanoic acid, iron(2+) iron(3+) saltIMVGFDIQASHWEF-UHFFFAOYSA-N2-エチルヘキサン酸/鉄(II)/鉄(III),(1:x:x)
名称をさらに表示
Iron(II,III)2-EthylhexanoateIron(II, III) 2-Ethylhexanoate2-ethyl-hexanoic aci iron(2++) iron(3++) salt2-Ethylhexanoic acid/iron(II)/iron(III),(1:x:x) saltHexanoic acid, 2-ethyl-, iron(2+) iron(3+) salt (1::)
データベース識別子
- CAS
19583-54-1、68201-81-0- PubChem CID
- 109216
- EC Number
- 243-169-8、269-240-3
物性
構造計算による物性
- 極性表面積
- 37.3 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 2
- 回転可能結合数
- 5
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 99.4
実験および物理化学的性質
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
物理化学的性質
- EPAの化学物質情報
- 2 · Ferric ferrous 2-ethylhexanoate (68201-81-0)
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 7.7% (14 of 183) of reports.
Danger
H302 (78.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 4.6% (5 of 109) of reports.
危険有害性情報
Regulatory Information
Chemical: Hexanoic acid, 2-ethyl-, iron salt
Chemical: Hexanoic acid, 2-ethyl-, iron(2+) iron(3+) salt
REACH registered substance: 2-ethylhexanoic acid, iron salt (EC: 243-169-8)
Hexanoic acid, 2-ethyl-, iron 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.
Iron 2-ethylhexanoate: 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.
Hazard Classes and Categories
Acute Tox. 4 (78.7%)
Acute Tox. 4 (95.4%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
General Manufacturing Information
Hexanoic acid, 2-ethyl-, iron salt (1:?): ACTIVE
Hexanoic acid, 2-ethyl-, iron(2+) iron(3+) salt (1:?:?): ACTIVE
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