Basic information
- CAS
3900-04-7- Standard SMILES
CCCCCCOP(=O)(O)O- InChIKey
PHNWGDTYCJFUGZ-UHFFFAOYSA-N- Molecular formula
- C6H15O4P
- Average molar mass
- 182.15 g/mol
- Monoisotopic mass
- 182.07079595
Overview
monohexyl phosphate has been reported in Zingiber officinale with data available.
Names & identifiers
- Preferred name
- Hexyl dihydrogen phosphate
- IUPAC
- hexyl dihydrogen phosphate
- English name
- hexyl dihydrogen phosphate
- Molecular formula
- C6H15O4P
- Molecular weight
- 182.15
Names & synonyms
Hexyl dihydrogen phosphateMonohexyl phosphate3900-04-7HEXYL PHOSPHATEPhosphoric acid, monohexyl esterERF756S554DTXSID50863288RefChem:1086671DTXCID60207492223-451-7Monohexyl dihydrogen phosphate(hexyloxy)phosphonic acid
Show more names
MONOHEXYLPHOSPHATEMONO-N-HEXYLPHOSPHATEOrthophosphoric acid hexyl esterPHOSPHORICACID,MONO-N-HEXYLESTERPhosphoric acid dihydrogen hexyl esterHexyldihydrogenphosphat / Dihexylhydrogenphosphat
Hexyl alcohol, phosphatedn-hexyl phosphatehexylphosphoric acidEINECS 270-935-9EC 270-935-9n-hexyl dihydrogen phosphateSCHEMBL29136UNII-ERF756S554
Database identifiers
- CAS
3900-04-7、68307-94-8、68511-03-5、68515-98-0- PubChem CID
- 19787
- DTXSID
DTXSID50863288- UNII
- ERF756S554
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 131
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Organophosphates, Other
Physicochemical properties
- Boiling point
- 299.6 · 299.6±23.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 1.97 · 1.97±0.10(Predicted)
- FDA UNII
- 756 S554 · ERF756S554
- EPA Substance Registry System
- Monohexyl phosphate (3900-04-7)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 412 · H412-H314-H318
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P305+P351+P338-P310-P273-P501
- TSCA
- TSCA listed
- Hazardous Substances Data
- 3900 · 3900-04-7(Hazardous Substances Data)
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% (1 of 105) of reports.
Danger
H314 (99%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P273, 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 105 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Phosphoric acid, monohexyl ester
Phosphoric acid, monohexyl 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.
TSCA Requirements
Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, use, and exposure to EPA as cited in the preamble in 51 FR 41329.
Pursuant to section 8(d) of TSCA, EPA promulgated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. Phosphoric acid, monohexyl ester is included on this list.
Hazard Classes and CategoriesSkin Corr. 1B (99%)
Safety & protection
Disposal Methods
Chemistry & industry
Uses & manufacturing
Uses
Used as a surface-active agent; [HSDB]
SURFACE-ACTIVE AGENT
U.S. Production
(1972) PROBABLY GREATER THAN 4.54X10+5 GRAMS
(1975) PROBABLY GREATER THAN 4.54X10+5 GRAMS
Methods of ManufacturingREACTION OF N-HEXANOL & PHOSPHORUS OXYCHLORIDE IN THE PRESENCE OF A TERTIARY AMINE
General Manufacturing InformationPhosphoric acid, monohexyl ester: ACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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