Basic information
- CAS
4200-55-9- Standard SMILES
CCCCCCCCCCCCCOP(=O)(O)O- InChIKey
GAJQCIFYLSXSEZ-UHFFFAOYSA-N- Molecular formula
- C13H29O4P
- Average molar mass
- 280.34 g/mol
- Monoisotopic mass
- 280.1803464
Overview
Tridecyl acid phosphate appears as a liquid. May severely irritate skin, eyes or mucous membranes.
Names & identifiers
- Preferred name
- Monotridecyl phosphate
- IUPAC
- tridecyl dihydrogen phosphate
- English name
- Tridecyl acid phosphate
- Molecular formula
- C13H29O4P
- Molecular weight
- 280.34
Names & synonyms
Monotridecyl phosphate5116-94-91-Tridecanol, 1-(dihydrogen phosphate)DTXSID00421691-Tridecanol, dihydrogen phosphateUNII-KNC97HUU04KNC97HUU04EINECS 225-850-1DTXCID8022169MONO-N-TRIDECYL PHOSPHATEPHOSPHORIC ACID MONOTRIDECYL ESTERRefChem:159631
Show more names
TRIDECYL PHOSPHATEMonotridecylphosphate1-Tridecanol phosphoric acidphosphoric acid tridecyl ester1-Tridecanol,dihydrogenphosphate
225-850-1tridecyl dihydrogen phosphateTridecyl acid phosphateTridecan-1-yl dihydrogen phosphateMFCD1666127077031-08-4SCHEMBL258319CHEMBL3188547
Database identifiers
- CAS
4200-55-9、5116-94-9、68412-63-5- PubChem CID
- 82161
- DTXSID
DTXSID0042169- ChEMBL
CHEMBL3188547- UNII
- KNC97HUU04
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 215
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionTridecyl acid phosphate appears as a liquid. May severely irritate skin, eyes or mucous membranes.
Collision Cross Section169.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID0042169]
Physicochemical properties
- Density
- 0.977 g/mL · 0.977 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.456
- Flash point
- 185 °C · 185 °C
- FDA UNII
- 97 HUU04 · KNC97HUU04
- EPA Substance Registry System
- Monotridecyl phosphate (5116-94-9)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314
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
This chemical does not meet GHS hazard criteria for 1.5% (7 of 452) of reports.
Danger
H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 452 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: 1-Tridecanol, 1-(dihydrogen phosphate)
DOT LabelCorrosive
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
Organophosphates are susceptible to formation of highly toxic and flammable phosphine gas in the presence of strong reducing agents such as hydrides. Partial oxidation by oxidizing agents may result in the release of toxic phosphorus oxides.
Air and Water ReactionsAbout the same density as water and slowly dissolves in water.
Hazard Classes and Categories
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Tridecanol, 1-(dihydrogen phosphate): ACTIVE
Suppliers13 total
韶远科技(上海)有限公司4000665055 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
北京汤普森生物科技有限公司+86-13439059536 +86-15201677815 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
成都塞欧斯医药科技有限公司028-64971018 18108168130
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
BOC Sciences
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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