Sodium Caprate (HCID 4457968)

概要

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...

名称と識別子

優先名称: Sodium Caprate
IUPAC: sodium decanoate
現地名: デカン酸ナトリウム
英語名: Capric acid sodium salt
分子式: C10H19NaO2
分子量: 194.25

名称と別名

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

名称をさらに表示

デカン酸ナトリウムカプリン酸ナトリウムナトリウム=デカノアートn-デカン酸ナトリウムカプリン酸NAN‐デカン酸ナトリウム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)

データベース識別子

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

物性

構造計算による物性

極性表面積: 40.1 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 8
重原子数: 13
形式電荷: 0
複雑度: 115

実験および物理化学的性質

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

物理化学的性質

融点: 240 °C · ~240 °C (dec.)
貯蔵温度: 2 · 2-8°C
溶解性: 2 O: · H2O: 0.1 g/mL 無色透明
外見: powder to crystal
色: White to Light yellow
由来生物: natural (organic)
水溶解度: 非常にかすかな濁り
BRN: 3572742 · 3572742
化粧品成分の機能: 界面活性剤 - 洗浄クレンジング
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 データベース: 1002 · 1002-62-6(CAS DataBase Reference)
EPAの化学物質情報: Sodium decanoate (1002-62-6)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

毒性情報

Toxicity Summary · 2 件

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

安全データ

wgk: 3
tsca: TSCA listed
rtecs: HE0200000
hs_code: 2915.90.5050
化審法: (2)-611, (7)-973 優先評価化学物質
safety_code: 22-24/25
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

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.

用途と製造

UsesCIR ingredient: Sodium Caprate

Use Classification · 3 件

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

応用分野 · 2 件

説明Sodium 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.

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

調製方法 · 1 件

純化方法Neutralise sodium hydroxide by adding a slight excess of free decanoic acid and recovering the excess acid by Et2O extraction. The salt is recrystallised from the aqueous solution by adding pure acetone and repeating the steps several times, then drying the salt in an oven at ca 110o [Chaudhury & Awuwallia Trans Faraday Soc 77 3119 1981]. [Beilstein 2 IV 1041.]