CAS 13794-15-5 Sodium 2-(4-methoxyphenoxy)propanoate (HCID 23670520)

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Basic information

CAS: 13794-15-5
Standard SMILES: COc1ccc(OC(C)C(=O)[O-])cc1.[Na+]
InChIKey: SKORRGYRKQDXRS-UHFFFAOYSA-M
Molecular formula: C10H11NaO4
Average molar mass: 218.18 g/mol
Monoisotopic mass: 218.05550311

Names & identifiers

Preferred name: Sodium 2-(4-methoxyphenoxy)propanoate
IUPAC: sodium 2-(4-methoxyphenoxy)propanoate
English name: SODIUM2-(4-METHOXYPHENOXY)PROPANOATE
Molecular weight: 0

Names & synonyms

Sodium 2-(4-methoxyphenoxy)propanoate150436-68-3EnvisionFEMA No. 3773150767-88-7Sodium 2-(4-methoxyphenoxy)propionatePropanoic acid, 2-(4-methoxyphenoxy)-, sodium salt (1:1)SODIUM 2-(4-METHOXYPHENOXY) PROPIONATELACTISOLE SODIUM SALTDTXSID60934059LACTISOLE SODIUM SALT [MI]SODIUM 2-(4-METHOXYPHENOXY)PROPANOATE [FHFI]

Show more names

RefChem:886830DTXCID501362713604-737-4924-065-8Lactisole sodiumsodium;2-(4-methoxyphenoxy)propanoateUNII-ZU3D90W5GZPropanoic acid, 2-(4-methoxyphenoxy)-, sodium salt

Database identifiers

CAS: 13794-15-5、150436-68-3、150767-88-7
PubChem CID: 23670520
DTXSID: DTXSID60934059
ChEMBL: CHEMBL3715108
UNII: ZU3D90W5GZ
EC Number: 604-737-4、924-065-8
Nikkaji: J986.725B

Properties

Computed structural properties

Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 190

Experimental & physicochemical properties

Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food

Flavoring AgentsEU Flavoring substances

Solubility · 2 items

Soluble in water and propylene glycol, slightly soluble in fat

Miscible at room temperature (in ethanol)

Physical DescriptionWhite to pale cream, crystalline solid

Physicochemical properties

Odor: bland
LogP: 1.65 · 1.65

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 2.6% (1 of 39) of reports.

Warning

H315 (97.4%): 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.