Basic information
- CAS
2466-67-3- Standard SMILES
CC(C)CCOP(=O)(O)O- InChIKey
WCWLEIAMBPYRFJ-UHFFFAOYSA-N- Molecular formula
- C5H13O4P
- Average molar mass
- 168.13 g/mol
- Monoisotopic mass
- 168.05514589
Names & identifiers
- Preferred name
- 1-Butanol, 3-methyl-, 1-(dihydrogen phosphate)
- IUPAC
- 3-methylbutyl dihydrogen phosphate
- English name
- isopentyl dihydrogen phosphate
- Molecular formula
- C5H13O4P
- Molecular weight
- 168.128081
Names & synonyms
Isopentyl dihydrogen phosphate2466-67-3Isoamyl acid phosphateMonoisoamyl acid phosphate1-Butanol, 3-methyl-, 1-(dihydrogen phosphate)EINECS 219-575-6DTXSID9062439RefChem:75220DTXCID9037119219-575-63-methylbutyl dihydrogen phosphate1-Butanol, 3-methyl-, dihydrogen phosphate
Show more names
3-methyl-1-butano dihydrogen phosphate3-Methyl-1-butanol dihydrogen phosphate
881829-74-93-Buten-1-ol, 3-methyl-, dihydrogen phosphate, disodium saltmonoisoamyl-phosphoric acidSCHEMBL1270333SCHEMBL3187062SCHEMBL3429341SCHEMBL5046240SCHEMBL9258322
Database identifiers
- CAS
2466-67-3- PubChem CID
- 75573
- DTXSID
DTXSID9062439- EC Number
- 219-575-6
- Nikkaji
- J216.107I
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 277.3 · 277.3±23.0 °C(Predicted)
- Density
- 1.227 · 1.227±0.06 g/cm3(Predicted)
- pka
- 1.95 · 1.95±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1-Butanol, 3-methyl-, dihydrogen phosphate (2466-67-3)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- TSCA
- TSCA listed
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 71.4% (5 of 7) of all reports.
Danger
H314 (28.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1-Butanol, 3-methyl-, dihydrogen phosphate
1-Butanol, 3-methyl-, dihydrogen phosphate: 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 Corr. 1B (28.6%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanol, 3-methyl-, 1-(dihydrogen phosphate): ACTIVE
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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