基本情報
- CAS
4724-48-5- 標準SMILES
CCCCCCCCP(=O)(O)O- InChIKey
NJGCRMAPOWGWMW-UHFFFAOYSA-N- 分子式
- C8H19O3P
- 平均分子量
- 194.21 g/mol
- 単同位体質量
- 194.10718146
名称と識別子
- 優先名称
- Octylphosphonic acid
- IUPAC
- octylphosphonic acid
- 現地名
- オクチルホスホン酸
- 英語名
- n-Octylphosphonic acid
- 分子式
- C8H19O3P
- 分子量
- 194.21
名称と別名
Octylphosphonic acidn-Octylphosphonic Acid4724-48-5Phosphonic acid, octyl-Phosphonic acid, P-octyl-95C2AW87BODTXSID3044679DTXCID1024679RefChem:167920225-218-51-OCTYLPHOSPHONIC ACID1-Octanephosphonic acid
名称をさらに表示
オクチルホスホン酸n-オクチルホスホン酸1-オクチルホスホン酸n-オクチルホスホン酸, min. 97% OPAEBD27226KSC492M8PTox21_302242DSSTox_CID_24679DSSTox_RID_80391Octylphosphonsure1-octyl phosphateDSSTox_GSID_44679octyl-phosphonicaci
MFCD00015841UNII-95C2AW87BOEINECS 225-218-5AI3-22858EC 225-218-5N-OCTYLPHOSPHONICACIDN-Octylphosphonic acid mixtureoctanephosphonic acid
データベース識別子
- CAS
4724-48-5- PubChem CID
- 78452
- DTXSID
DTXSID3044679- ChEMBL
CHEMBL3182594- UNII
- 95C2AW87BO
- EC Number
- 225-218-5
- Nikkaji
- J262.410I
物性
構造計算による物性
- XLogP
- 1.8
- 極性表面積
- 57.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 7
- 重原子数
- 12
- 形式電荷
- 0
- 複雑度
- 141
実験および物理化学的性質
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionLiquid; Dry Powder
Collision Cross Section149.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID3044679]
物理化学的性質
- 融点
- 100 · 100-102°C
- 沸点
- 170 °C · 170 °C(Press: 0.05 Torr)
- 比重(密度)
- 1.08 · 1.080±0.06 g/cm3(Predicted)
- 蒸気圧
- 0 Pa · 0Pa at 25℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- soluble in Methanol
- 酸解離定数(Pka)
- 2.69 · 2.69±0.10(Predicted)
- 外見
- 粉
- 色
- ホワイトからオフホワイト
- 比重
- 1.1 · 1.10
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
H302 (85.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 384 reports by companies from 17 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: Phosphonic acid, octyl-
Phosphonic acid, P-octyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphonic acid, P-octyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Octylphosphonic acid (EC: 225-218-5)
Phosphonic acid, octyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (85.9%)
安全データ
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8 / PGII
- hs_code
- 29319090
- risk_code
- 36/37/38-48/22-34-22
- 化審法
- (2)-1995
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- packing_group
- III
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesPigment
Industry UsesCorrosion inhibitor
Household ProductsInformation on 12 consumer products that contain Octylphosphonic acid in the following categories is provided:
General Manufacturing Information
Plastics Product Manufacturing
Phosphonic acid, P-octyl-: ACTIVE
応用分野
使用1-Octylphosphonic acid is a basic building block and used in the preparation of various pharmaceutical compounds and chemical products. It is supported with calcium hydroxyapatite and used in the dental field as corrosion inhibitor and organic building block. It acts as a corrosion inhibitor in metallic household surfaces such as faucets and drains as well as prevents the rusting of can or dispenser. It is also used in the synthesis of octyl-phosphonic acid dimethyl ester by reacting with iodomethane in presence of CS2 CO3.
一般的な説明Octylphosphonic acid (OPA) forms a self-assembled monolayer (SAM), which serves as a protective anti-corrosive phosphonate layer on a variety of surfaces.
上流・下流製品情報
上流原料
関連反応
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