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Basic information
- CAS
37971-36-1- Standard SMILES
O=C(O)CCC(CC(=O)O)(C(=O)O)P(=O)(O)O- InChIKey
SZHQPBJEOCHCKM-UHFFFAOYSA-N- Molecular formula
- C7H11O9P
- Average molar mass
- 270.13 g/mol
- Monoisotopic mass
- 270.01406856
Names & identifiers
- Preferred name
- 2-Phosphono-1,2,4-butanetricarboxylic acid
- IUPAC
- 2-Phosphonobutane-1,2,4-tricarboxylic acid
- English name
- 2-Phosphonobutane-1,2,4-tricarboxylic acid
- Molecular formula
- C7H11O9P
- Molecular weight
- 270.13
Names & synonyms
Database identifiers
- CAS
37971-36-1- PubChem CID
- 61973
- DTXSID
DTXSID4027999- UNII
- 306P37319L
- EC Number
- 253-733-5
- Nikkaji
- J261.277A
Properties
Physicochemical properties
- Melting point
- -15 °C · -15 °C
- Boiling point
- 545.2 · 545.2±60.0 °C(Predicted)
- Density
- 1.25 · 1.25 (50% aq.)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- refractive index
- 1.579 · 1.579
- solubility
- Completely miscible in water
- form
- clear liquid
- pka
- 1.14 · 1.14±0.10(Predicted)
- color
- Colorless to Light yellow
- Water Solubility
- 909 g/L · 909g/L at 20℃
- Cosmetics Ingredients Functions
- BUFFERINGANTICORROSIVECHELATING
- InChI
- InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)
- InChIKey
- SZHQPBJEOCHCKM-UHFFFAOYSA-N
- SMILES
- C(C(O)=O)C(P(O)(O)=O)(C(O)=O)CCC(O)=O
- LogP
- -1.66 at · -1.66 at 25℃
- CAS DataBase Reference
- 37971 · 37971-36-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 306 P37319L · 306P37319L
- EPA Substance Registry System
- 2 · 2-Phosphono-1,2,4-butanetricarboxylic acid (37971-36-1)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 290 · H290-H314
- Precautionary statements
- 234 · P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
- Hazard Codes
- Xi;Xn,Xn,Xi
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-45
- RIDADR
- 3265 · UN 3265
- TSCA
- TSCA listed
- HS Code
- 2931.9 · 2931.90.9051
- HazardClass
- 8 · 8
- PackingGroup
- III
- REACH Registrations
- Active
Safety & regulation
Safety data
- tsca
- TSCA listed
- ridadr
- UN 3265
- hs_code
- 2931.90.9051
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi;Xn,Xn,Xi
- safety_code
- 26-45
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H290-H314
- REACH Registrations
- Active
- Precautionary statements
- P234-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
Chemistry & industry
Applications
Description2-Phosphonobutane-1,2,4-tricarboxylic acid(PBTC) is the latest generation of internationally popular phosphine carboxylic acid, and it is one of the most widely used and best-performing products in the compounding of high-efficiency scale and corrosion inhibitors. It is especially suitable for water quality conditions of high temperature, high hardness, high alkalinity, high pH, and high concentration ratio, and has good scale inhibition performance for calcium carbonate scale and calcium phosphate scale.
UsesPBTC is the most widely used in the compounding of high-efficiency scale and corrosion inhibitors, is one of the products with the best performance, and is also an excellent stabilizer for zinc salts. It is widely used in the corrosion and scale inhibition of circulating cooling water system and oilfield water injection system, especially suitable for compounding with zinc salt and copolymer. It can be used as a chelating agent and metal cleaning agent in the washing industry.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
Related reactions
No reaction records under the current filter.
Compound notes
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