Basic information
- CAS
106807-78-7- Standard SMILES
CCCCCCCCCc1ccc(OCCOCC(=O)O)cc1- InChIKey
RAQHOBRSMPMJIP-UHFFFAOYSA-N- Molecular formula
- C19H30O4
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.21440943
Names & identifiers
- Preferred name
- 2-(2-(4-Nonylphenoxy)ethoxy)acetic acid
- IUPAC
- 2-[2-(4-nonylphenoxy)ethoxy]acetic acid
Names & synonyms
2-[2-(4-nonylphenoxy)ethoxy]acetic acid2-(2-(4-nonylphenoxy)ethoxy)acetic Acid106807-78-7DTXSID70147779RefChem:250347DTXCID1070270Acetic acid, 2-[2-(4-nonylphenoxy)ethoxy]-[2-(4-nonylphenoxy)ethoxy]acetic acidNP1ECNonylphenol-1-ethoxy carboxylateSCHEMBL13382749MN CA.600
Show more names
4-n-nonylphenoxyethoxy acetic acidFN67461NS00011528
Database identifiers
- CAS
106807-78-7- PubChem CID
- 86267
- DTXSID
DTXSID70147779- EC Number
- 631-246-2
- Nikkaji
- J592.107D
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 285
Experimental & physicochemical properties
SurfactantsSurfactant -> linear alkylbenzyl sulfonate (LAS)
Endocrine DisruptorsPotential endocrine disrupting compound
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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