Basic information
- CAS
4724-47-4- Standard SMILES
CCCCCCCCCCCCCCCCCCP(=O)(O)O- InChIKey
FTMKAMVLFVRZQX-UHFFFAOYSA-N- Molecular formula
- C18H39O3P
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.26368174
Names & identifiers
- Preferred name
- Phosphonic acid, P-octadecyl-
- IUPAC
- octadecylphosphonic acid
- English name
- Octadecylphosphonic acid
- Molecular formula
- C18H39O3P
- Molecular weight
- 334.47
Names & synonyms
Octadecylphosphonic acid4724-47-4Phosphonic acid, octadecyl-Phosphonic acid, P-octadecyl-EINECS 225-216-4DTXSID5063574RefChem:862235DTXCID0040541225-216-4n-octadecylphosphonic acidoctadecyl phosphonic acidODPA
Show more names
Octadecanephosphonic acid1-Octadecylphosphonic acidOctadecylphosphonicAcid>1-Octadecanephosphonic acidOctadecylphosphonic acid 97%n-Octadecylphosphonic acid 97%
MFCD00015838KDX6MSF5PNstearylphosphonic acidUNII-KDX6MSF5PNSCHEMBL107866Octadecylphosphonic acid, >=99%GEO-04391Q7076691
Database identifiers
- CAS
4724-47-4- PubChem CID
- 78451
- DTXSID
DTXSID5063574- ChEMBL
CHEMBL190741- UNII
- KDX6MSF5PN
- EC Number
- 225-216-4
- Nikkaji
- J262.409E
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 99 ℃ · 99℃
- Boiling point
- 463.6 · 463.6±28.0 °C(Predicted)
- Density
- 0.969 · 0.969
- storage temp.
- Store at room temperature
- pka
- 2 · 2+-.0.10(Predicted)
- form
- Crystalline
- color
- White to off-white
- Water Solubility
- Insoluble in water.
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- Stability
- Stable. Incompatible with strong oxidizing agents.
- InChI
- InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)
- InChIKey
- FTMKAMVLFVRZQX-UHFFFAOYSA-N
- SMILES
- P(CCCCCCCCCCCCCCCCCC)(=O)(O)O
- CAS DataBase Reference
- 4724 · 4724-47-4
- FDA UNII
- 6 MSF5PN · KDX6MSF5PN
- EPA Substance Registry System
- Phosphonic acid, octadecyl- (4724-47-4)
- UNSPSC Code
- 12352300 · 12352300
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29319090 · 29319090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (96.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 32 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationPhosphonic acid, octadecyl-: 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 CategoriesSkin Irrit. 2 (96.9%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29319090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-octadecyl-: ACTIVE
Applications
UsesOctadecylphosphonic acid is used as detergents, dispersants, emulsifiers, and chelating agents. Alkyl phosphonic acids are typically sparingly soluble in both organic solvents and water, but become more soluble in water when neutralized to phosphonates at neutral to high pH.
Usesn-Octadecylphosphonic acid is used in thermal paper for receipts, adding machines and tickets. It acts as surfactant, emulsifier, dispersants and chelating agents. Further, it is a long chain phosphonic acid compound utilized for proteomics research. In addition to this, it is used to prepare modified mesoporous magnetic nano particles through Lewis acid/base interaction.
General DescriptionOctadecylphosphonic acid (OPA) is used as a self-assembled monolayer that forms a surfactant which strongly bonds with the surface atoms of different metal oxides. It provides hydrophobic properties and covers a higher surface area than the predominantly used silanes.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
三门峡奥科化工有限公司0398-3711988 13525866741 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
江苏普乐司生物科技有限公司0513-66017706 18551496367 · [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]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
武汉匠信生物科技有限公司19272768272 18007157445 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
石家庄斯迪亚诺精细化工有限公司0311-89250318 031166536426 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
武汉市承天精细化工有限公司18164098996 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
Related reactions
2 records
Compound notes
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