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Didodecyl phosphonate

HCID 88863
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Basic information

CAS
21302-09-0
Standard SMILES
CCCCCCCCCCCCO[PH](=O)OCCCCCCCCCCCC
InChIKey
KQWYQZYVKPPMBX-UHFFFAOYSA-N
Molecular formula
C24H51O3P
Average molar mass
418.6 g/mol
Monoisotopic mass
418.35758248

Names & identifiers

Preferred name
Didodecyl phosphonate
IUPAC
1-dodecoxyphosphonoyloxydodecane
English name
Dilauryl hydrogen phosphite
Molecular formula
C24H51O3P
Molecular weight
418.63

Names & synonyms

di-DHPHRefChem:920141DTXCID9030416244-325-821302-09-0Di(n-dodecyl)hydrogen phosphateDidodecyl phosphonateDTXSID6051859Phosphonic acid, didodecyl esterDILAURYL PHOSPHITEjp212chelexh12
Show more names
NSC 41924Brn 2056801Duraphos AP 230Einecs 244-325-8didodecylphosphiteDilauryl phosphonatedi-n-dodecylphosphite

Database identifiers

CAS
21302-09-0
PubChem CID
88863
DTXSID
DTXSID6051859
EC Number
244-325-8

Properties

Computed structural properties

XLogP
10.6
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
24
Heavy atoms
28
Formal charge
0
Complexity
282

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point
24 °C · 24 °C
Boiling point
200 °C · 200 °C (2 mmHg)
Density
0.946 · 0.946
refractive index
1.45 · 1.45-1.453
Flash point
150 °C · 150°C
form
Liquid
color
Transparent
EPA Substance Registry System
Phosphonic acid, didodecyl ester (21302-09-0)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes
Xi

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 71.4% (20 of 28) of all reports.

Warning

H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 28 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Phosphonic acid, didodecyl ester

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

Phosphonic acid, didodecyl 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 Irrit. 2 (28.6%)

Safety data

tsca
TSCA listed
Toxicity
LD50 oral in rat: > 10gm/kg
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
37/39-26
Hazard statements
H315

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 36,794 lb
Consumer UsesLubricating agent
Industry UsesLubricating agent
General Manufacturing Information · 2 items

Petroleum Lubricating Oil and Grease Manufacturing

Phosphonic acid, didodecyl ester: ACTIVE

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
More actions
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Risk Statements
36 · 36/37/38
Safety Statements
37 · 37/39-26
TSCA
TSCA listed
Toxicity
50 oral · LD50 oral in rat: > 10gm/kg
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362