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Phosphoric acid, dipentyl ester

HCID 76589
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
3138-42-9
Standard SMILES
CCCCCOP(=O)(O)OCCCCC
InChIKey
WJZUIWBZDGBLKK-UHFFFAOYSA-N
Molecular formula
C10H23O4P
Average molar mass
238.26 g/mol
Monoisotopic mass
238.13339621

Names & identifiers

Preferred name
Phosphoric acid, dipentyl ester
IUPAC
dipentyl hydrogen phosphate
English name
DI-N-AMYLPHOSPHATE
Molecular formula
C10H23O4P
Molecular weight
238.26

Names & synonyms

3138-42-9Diamyl phosphatePhosphoric acid, dipentyl esterDiamyl acid phosphateEINECS 221-537-9AI3-16972DTXSID40863111RefChem:173737DTXCID40208164Dipentyl hydrogen phosphatephosphoric acid dipentylesterSCHEMBL497151
Show more names
DI-N-AMYLPHOSPHATEDiamylacidphosphatediamyl hydrogen phosphatePhosphoricacid,dipentylesterPhosphoric acid hydrogen dipentyl esterdi-n-amylphosphate(1:1mixtureofmonoanddi)Dinamylphosphatemixtureofmonoanddicolorlessliq
SCHEMBL3261925WJZUIWBZDGBLKK-UHFFFAOYSA-NGEO-04525AKOS040768955NS00019432

Database identifiers

CAS
3138-42-9
PubChem CID
76589
DTXSID
DTXSID40863111
EC Number
221-537-9
Nikkaji
J217.293C

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
55.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
15
Formal charge
0
Complexity
168

Experimental & physicochemical properties

Chemical ClassesOrganophosphate diesters (OPDE)
Physical DescriptionLiquid

Physicochemical properties

Boiling point
309.5 · 309.5±25.0 °C(Predicted)
Density
1.066 g/cm3 · 1.0660 g/cm3
pka
1.65 · 1.65±0.50(Predicted)
EPA Substance Registry System
Diamyl phosphate (3138-42-9)
Symbol(GHS)
5 · GHS05
Signal word
Danger
Hazard statements
314 · H314-H318
Precautionary statements
260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P405-P501
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36/37/39
TSCA

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 · 5 items

This chemical does not meet GHS hazard criteria for 1% (5 of 479) of reports.

Danger

H314 (99%): 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 479 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Phosphoric acid, dipentyl ester

Phosphoric acid, dipentyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phosphoric acid, dipentyl 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, dipentyl 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.

Hazard Classes and CategoriesSkin Corr. 1B (99%)

Safety data

tsca
TSCA listed
risk_code
36/37/38
Signal word
Danger
Symbol(GHS)
GHS05
safety_code
26-36/37/39
Hazard statements
H314-H318
Precautionary statements

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <75,000 lb
Consumer UsesSurfactant (surface active agent)
Industry UsesSurfactant (surface active agent)
General Manufacturing Information · 2 items

Paint and Coating Manufacturing

Phosphoric acid, dipentyl ester: ACTIVE

Suppliers5 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
昌和化学新材料(江苏)有限公司18020181352 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海宝杨宝欣生物科技有限公司021-56698539 19921169802 · [email protected]
广东翁江化学试剂有限公司0751-2815983 13927872582 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
TSCA listed
P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P305+P351+P338-P405-P501