CAS 1002-62-6 Sodium Caprate (HCID 4457968)

Overview

The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Sodium Caprate...

Names & identifiers

Preferred name: Sodium Caprate
IUPAC: sodium decanoate
English name: Capric acid sodium salt
Molecular formula: C10H19NaO2
Molecular weight: 194.25

Names & synonyms

Sodium decanoate1002-62-6Sodium caprateDecanoic acid, sodium saltCapric acid, sodium salt4I820XKV2ADTXSID0027351RefChem:887382DTXCID207351213-688-4Capric acid sodium saltSodium decanoic acid

Show more names

SODIUM CAPRINATESODIUM N-DECANOATEcapric acid sodiumsodiumdecanoicacidSodium Decanoate >Capric acid sodium salcaprinicacidsodiumsaltDecanoic acid (sodium)

Decanoic acid, sodium salt (1:1)Decanoic acid sodium saltsodium;decanoateCaprinic acid sodium saltMFCD00066453EINECS 213-688-4UNII-4I820XKV2ADecanoic Acid (sodium salt)

Database identifiers

CAS: 1002-62-6
PubChem CID: 4457968
DTXSID: DTXSID0027351
UNII: 4I820XKV2A
EC Number: 213-688-4
Nikkaji: J43.181H

Properties

Computed structural properties

Topological polar surface area: 40.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 13
Formal charge: 0
Complexity: 115

Experimental & physicochemical properties

CosmeticsCosmetic ingredients (Sodium Caprate) -> CIR (Cosmetic Ingredient Review)

Food AdditivesANTICAKING AGENT OR FREE-FLOW AGENT, EMULSIFIER OR EMULSIFIER SALT, LUBRICANT OR RELEASE AGENT -> FDA Substance added to food

Physicochemical properties

Melting point: 240 °C · ~240 °C (dec.)
storage temp.: 2 · 2-8°C
solubility: 2 O: · H2O: 0.1 g/mL, clear, colorless
form: powder to crystal
color: White to Light yellow
biological source: natural (organic)
Water Solubility: very faint turbidity
BRN: 3572742 · 3572742
Cosmetics Ingredients Functions: SURFACTANT - CLEANSINGCLEANSING
InChI: InChI=1S/C10H20O2.Na/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);/q;+1/p-1
InChIKey: FIWQZURFGYXCEO-UHFFFAOYSA-M
SMILES: C(CCC([O-])=O)CCCCCC.[Na+]
LogP: 3.965 · 3.965 (est)
CAS DataBase Reference: 1002 · 1002-62-6(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS): SODIUM CAPRATE
EWG's Food Scores: 1 · 1
FDA UNII: 4 I820XKV2A · 4I820XKV2A
EPA Substance Registry System: Sodium decanoate (1002-62-6)
UNSPSC Code: 12352211 · 12352211
NACRES: 25 · NA.25
Hazard statements: 412 · H412
Precautionary statements: 273 · P273-P501
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
RTECS: 200000 · HE0200000
TSCA: TSCA listed
HS Code: 2915.9 · 2915.90.5050
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 5.3% (2 of 38) of reports.

H412 (94.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 2 items

Chemical: Decanoic acid, sodium salt

Decanoic acid, sodium salt: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Decanoic acid, sodium salt: Environment tier I assessment

EPA Safer ChemicalChemical: Sodium decanoate

Hazard Classes and CategoriesAquatic Chronic 3 (94.7%)

Toxicology

Toxicity Summary · 2 items

The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be based on a QRA...Sodium Caprate...

Safe for use in cosmetics, with qualifications

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: HE0200000
hs_code: 2915.90.5050
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H412
Precautionary statements: P273-P501

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

Uses & manufacturing

UsesCIR ingredient: Sodium Caprate

Use Classification · 3 items

EPA Safer Chemical Functional Use Classes -> Surfactants

Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern

Food Additives -> ANTICAKING_AGENT; EMULSIFIER -> JECFA Functional Classes

General Manufacturing InformationDecanoic acid, sodium salt (1:1): ACTIVE

Applications · 2 items

DescriptionSodium decanoate has amphiphilic character and can form micelles and liquid crystalline phases in aqueous solution. In a chemical model system, it has been used in 13C NMR studies of the addition of hydrophilic and hydrophobic molecules to the 1-monooleoyl glycerol/water system, to elucidate the transport of biologically active molecules.

UsesSodium Caprate is the sodium salt of capric acid. It functions as a binder, emulsifier, and anticaking agent.