Phosphoric acid, monopentyl ester
Basic information
- CAS
12789-46-7- Standard SMILES
CCCCCOP(=O)(O)O- InChIKey
NVTPMUHPCAUGCB-UHFFFAOYSA-N- Molecular formula
- C5H13O4P
- Average molar mass
- 168.13 g/mol
- Monoisotopic mass
- 168.05514589
Overview
Amyl acid phosphate appears as a colorless liquid. Burns, though difficult to ignite. Denser than water and is insoluble in water. Hence, sinks in water. Corrosive to metals and tissue. Vapors are heavier than air. Used as a curing agent in paints and plastics and in the manufacture of synthetic fibers.
Names & identifiers
- Preferred name
- Phosphoric acid, monopentyl ester
- IUPAC
- pentyl dihydrogen phosphate
- English name
- pentyl dihydrogen phosphate
- Molecular formula
- C5H13O4P
- Molecular weight
- 168.13
Names & synonyms
Pentyl dihydrogen phosphateAmyl acid phosphate12789-46-7Phosphoric acid, monopentyl ester2382-76-5Monoamyl phosphatePhosphoric acid, pentyl esterMonopentyl phosphateAmyl dihydrogen phosphateUN2819EINECS 235-827-8Pentyl phosphate, (C5H11O)(OH)2PO
Show more names
Phosphoric acid dihydrogen pentyl ester
EINECS 219-188-2NSC 41913DTXSID50862913amyl hydrogen phosphateRefChem:862727DTXCID10203722DTXSID001345065219-188-2
Database identifiers
- CAS
12789-46-7、2382-76-5- PubChem CID
- 61572
- DTXSID
DTXSID50862913- EC Number
- 219-188-2、235-827-8
- Nikkaji
- J191.419G
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
Chemical Classes
Other Classes -> Organophosphates, Other
Corrosives
Physical Description
Amyl acid phosphate appears as a colorless liquid. Burns, though difficult to ignite. Denser than water and is insoluble in water. Hence, sinks in water. Corrosive to metals and tissue. Vapors are heavier than air. Used as a curing agent in paints and plastics and in the manufacture of synthetic fibers.
Liquid
Colorless liquid; [CAMEO]
Physicochemical properties
- Boiling point
- 285.6 · 285.6±23.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 2.05 · 2.05±0.10(Predicted)
- EPA Substance Registry System
- Phosphoric acid, monopentyl ester (2382-76-5)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
- HS Code
- 2919900090 · 2919900090
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 1.2% (6 of 509) of reports.
Danger
H314 (98.8%): 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 509 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
Hazard information
Regulatory Information
Chemical: Phosphoric acid, pentyl ester
Chemical: Phosphoric acid, monopentyl ester
Phosphoric acid, monopentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, monopentyl ester 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)
Phosphoric acid, pentyl ester: 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.
Phosphoric acid, monopentyl ester: 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.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelCorrosive
Fire Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· Combustible material: may burn but does not ignite readily.
Health Hazards
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or skin contact with material may cause severe injury or death.
Hazards SummaryOral lethal-dose (rat) >250 mg/kg; [RTECS] Causes burns; [CAMEO]
DOT ID and Guide2819 153
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
Reactivity Profile
AMYL ACID PHOSPHATE is an organophosphate. 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.
DOT Hazard Classification
Amyl acid phosphate
UN2819
Class 8 Corrosive material (49 eCFR § 173.136)
PG III: the degree of danger presented by the material is minor
Air and Water ReactionsInsoluble in water.
Hazard Classes and Categories
Skin Corr. 1C (100%)
Skin Corr. 1A (98.8%)
Corrosives
Safety & protection
Fire FightingExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Isolation and Evacuation
Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Emergency Response Planning GuidelinesSmall Fire
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
- hs_code
- 2919900090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H318-H314
- Precautionary statements
- P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
Uses
Used as a curing agent for paints and plastics and to make synthetic fibers; [CAMEO]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
U.S. Production2023: <75,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Phosphoric acid, monopentyl ester: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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