Octadecanoic acid, 9-(sulfooxy)-, monosodium salt
基本情報
- CAS
67815-91-2- 標準SMILES
CCCCCCCCCC(CCCCCCCC(=O)O)OS(=O)(=O)[O-].[Na+]- InChIKey
LBBMGWMTZMVZCT-UHFFFAOYSA-M- 分子式
- C18H35NaO6S
- 平均分子量
- 402.5 g/mol
- 単同位体質量
- 402.20520429
名称と識別子
- 優先名称
- Octadecanoic acid, 9-(sulfooxy)-, monosodium salt
- IUPAC
- sodium 1-carboxyheptadecan-8-yl sulfate
名称と別名
Octadecanoic acid, 9-(sulfooxy)-, monosodium salt68331-91-99(or 10)-(Sulfooxy)stearic acid sodium salt67815-91-2Sodium 9-(sulfooxy)stearateOctadecanoic acid, 9-(sulfooxy)-, sodium salt (1:1)68964-56-79(or 10)-(Sulfooxy)stearic acid monosodium salt68413-72-9EINECS 269-770-59(Or 10)-(sulphooxy)octadecanoic acid, sodium saltOctadecenoic acid, sulfate, monosodium salt
名称をさらに表示
Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium saltOctadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:?)EINECS 273-422-8Sodium hydrogen 9(or 10)-(sulphonatooxy)octadecanoateOctadecanoic acid, 9(or 10)-(sulfooxy)-, monosodium saltOctadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:1)
データベース識別子
- CAS
67815-91-2、68331-91-9、68413-72-9、68964-56-7- PubChem CID
- 23668646
- EC Number
- 269-770-5、270-245-8、273-422-8
物性
構造計算による物性
- 極性表面積
- 112 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 18
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 422
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
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
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 73 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
危険有害性情報
Regulatory Information
Chemical: Octadecanoic acid, 9-(sulfooxy)-, monosodium salt
Chemical: Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt
Chemical: Octadecanoic acid, 9-(sulfooxy)-, sodium salt
Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium 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 Information
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Not Classified
化学と産業
用途と製造
General Manufacturing Information
Octadecanoic acid, 9-(sulfooxy)-, sodium salt (1:1): INACTIVE
Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:?): ACTIVE
Octadecanoic acid, 9-(sulfooxy)-, sodium salt (1:?): INACTIVE
Octadecanoic acid, 9(or 10)-(sulfooxy)-, sodium salt (1:1): ACTIVE
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化合物ノート
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