基本情報
- 標準SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]- InChIKey
RYYKJJJTJZKILX-UHFFFAOYSA-M- 分子式
- C18H35NaO2
- 平均分子量
- 306.5 g/mol
- 単同位体質量
- 306.25347464
名称と識別子
- 優先名称
- Sodium Stearate
- IUPAC
- sodium octadecanoate
- 現地名
- ステアリン酸ナトリウム
- 英語名
- Sodium stearate
- 分子式
- C18H35NaO2
- 分子量
- 306.45907
名称と別名
名称をさらに表示
データベース識別子
- CAS
822-16-2- PubChem CID
- 2724691
- DTXSID
DTXSID9027318- ChEMBL
CHEMBL1906423- ChEBI
CHEBI:132109- UNII
- QU7E2XA9TG
- EC Number
- 212-490-5
- Nikkaji
- J7.124B
物性
構造計算による物性
- 極性表面積
- 40.1 Ų
- 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
- 16
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 207
実験および物理化学的性質
Solubility
SLOWLY SOL IN COLD WATER OR COLD ALC; FREELY SOL IN HOT SOLVENTS
INSOL IN MANY ORGANIC SOLVENTS
Physical Description
Liquid; Dry Powder; Large Crystals; Large Crystals; Dry Powder
White to yellow powder or wax-like substance; Stearates are salts of octadecanoic acid; [ACGIH]
White solid; [Merck Index] White powder; [MSDSonline]
物理化学的性質
- 融点
- 270 °C · 270 °C
- 比重(密度)
- 1.07 g/cm3 · 1.07 g/cm3
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 96 %)。 · 水およびエタノールにわずかに溶ける(96%)。
- 外見
- 粉
- 色
- 白い
- 臭い (Odor)
- 脂肪(獣脂)の臭いが付いている白く良い粉
- 由来生物
- plant (vegetable)
- 水溶解度
- 冷水および温水に可溶
- Merck
- 14 · 14,8678
- BRN
- 3576813 · 3576813
- 安定性
- 安定。強力な酸化剤とは相容れない。
- 化粧品成分の機能
- 界面活性剤 - 洗浄粘度制御クレンジング界面活性剤 - 乳化剤
- InChI
- 1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
- InChIKey
- RYYKJJJTJZKILX-UHFFFAOYSA-M
- SMILES
- [Na+].CCCCCCCCCCCCCCCCCC([O-])=O
- LogP
- 8.216 · 8.216 (est)
- CAS データベース
- 822 · 822-16-2(CAS DataBase Reference)
- EPAの化学物質情報
- Sodium stearate (822-16-2)
化学的性質
化学的特性Sodium stearate, NaC18H35O2, white to off-white powder, soluble, froth or foam upon shaking the water solution (soap), formed by reaction of NaOH and stearic acid (in alcoholic solution) and evaporating. Used as a source of stearate.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 75.6% (391 of 517) of all reports.
Danger
H315 (19.3%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (19%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 517 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 391 of 517 reports by companies.;There are 5 notifications provided by 126 of 517 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Chemical: Octadecanoic acid, sodium salt
Octadecanoic acid, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, sodium salt (1:1) 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)
Sodium stearate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
This TLV Documentation applies only to stearic acid and magnesium, sodium, and zinc stearates. It excludes stearates of other metals. TLV Basis is lower respiratory tract irritation. No acute systemic effects of stearic acid have been reported after ingestion. . . . Sprague-Dawley rats fed stearic acid in their diet at 3000 ppm for 209 days showed 'severe pulmonary infection consisting of tracheobronchitis, lobular pneumonia, lipoid histiocytic response, and abscess formation.' [ACGIH] See Stearic acid.
May cause irritation; [MSDSonline] See STEARATES.
Special Reports
THE CHEMICAL & PHYSICAL PROPERTIES (INCLUDING SOLUBILITY IN VARIOUS MEDIA) OF SODIUM STEARATE ARE REVIEWED.[LOWER ES; EXAMINATION OF SODIUM STEARATE SOAP; SOAP PERFUM COSMET 54(DEC) 659 (1981)]
THE EFFECT OF TEMPERATURE ON THE DENSITY & VISCOSITY OF SODIUM STEARATE IS DISCUSSED, ALONG WITH ITS LOW TOXICITY & USES IN A WIDE VARIETY OF FORMULATIONS INCLUDING COSMETICS, LUBRICANTS, POLYMERS & RUBBERS.[LOWER ES; SODIUM STEARATE. PART 2. USES; SOAP PERFUM COSMET 55(FEB) 85 (1982)]
Hazard Classes and Categories
Skin Irrit. 2 (19.3%);Eye Dam. 1 (19%)
Serious eye damage/eye irritation - Category 2A;Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2
Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 3
安全と保護具
Threshold Limit Values (TLV)
10.0 [mg/m3], inhalable particulate matter (3 mg/m3 for respirable particulate matter)
10.0 [mg/m3], inhalable particulate matter (3 mg/m3 for respirable particulate matter)
8 hr Time Weighted Avg (TWA): 10 mg/cu m. /Stearates; does not include stearates of toxic metals/
Excursion Limit Recommendation: Excursions in worker exposure levels may exceed 3 times the TLV-TWA for no more than a total of 30 minutes during a work day, and under no circumstances should they exceed 5 times the TLV-TWA, provided that the TLV-TWA is not exceeded. /Stearates; does not include stearates of toxic metals/
A4; Not classifiable as a human carcinogen. /Stearates; does not include stearates of toxic metals/
Protective Action Criteria (PAC)
0.17 [mg/m3]
1.8 [mg/m3]
11 [mg/m3]
毒性情報
Adverse Effects
ACGIH Carcinogen - Not Classifiable.
ACGIH Carcinogen - Not Classifiable.
Toxicity Summary
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 basedon a QRA...Sodium Stearate...
Safe for use in cosmetics, with qualifications
Human Toxicity Excerpts
SEE SOAPS. BY INTRAUTERINE INJECTION (AS IN SOME CRIMINAL ABORTIONS), SOAPS CAUSE HEMOLYSIS, EMBOLI, HYPERPYREXIA, SHOCK, RENAL DAMAGE, & OFTEN PROMPT DEATH. /SOAPS/
SEE SOAPS. THEY ARE...LESS LETHAL THAN SYNTHETIC ANIONIC DETERGENTS & EVEN LESS THAN MOST NONIONIC DETERGENTS. HOWEVER, SOAPS WITH APPRECIABLE CONTENT OF FREE ALKALI (EG, SOME LAUNDRY SOAPS) ARE LESS BENIGN. /SOAPS/
Non-Human Toxicity Excerpts
SEE SOAP. EXPERIMENTAL APPLICATION OF PURE GRANULATED WHITE SOAP TO RABBIT EYES CAUSES A MODERATELY SEVERE REACTION, GRADED 8 ON A SCALE OF 1 TO 10 AFTER 24 HR. ...SIMILARLY 5% SOLN OF SOAP CAUSES TRANSIENT MILD CONJUNCTIVAL HYPEREMIA & OPTICAL IRREGULARITY OF THE CORNEAL EPITHELIUM IF THE EXPOSURE IS BRIEF. /SOAP/
SODIUM STEARATE PRODUCED HYPERTHERMIA WHEN INJECTED INTO THE CEREBRAL VENTRICLES OF CONSCIOUS CATS. THRESHOLD EFFECTS WERE OBTAINED WITH AS LITTLE AS 2.0-5.0 MUG. THE HYPERTHERMIC EFFECT REACHED ITS MAXIMUM 2-3 HR AFTER ADMIN & LASTED FOR MORE THAN 12 HR. THE RISE IN TEMPERATURE WAS ALWAYS ASSOCIATED WITH SEDATION.
CULTURES OF RAT HEART MUSCLE (M) & ENDOTHELIOID (E) CELLS WERE TREATED FOR 30 MINUTES WITH SODIUM STEARATE AT CONCN OF 5X10-6 & 5X10-4 MOLAR & A FREE FATTY ACID (FFA)-TO-ALBUMIN RATIO OF 6:1. SODIUM STEARATE LABILIZED M CELL LYSOSOMES, BUT LYSOSOMES OF E CELLS WERE NOT SIGNIFICANTLY AFFECTED.
SODIUM STEARATE INDUCED PLASMA PLATELET AGGREGATION IN VITRO & THROMBOPENIA IN RABBITS AFTER INJECTION.
法規制情報
Regulatory Information
Chemical: Octadecanoic acid, sodium salt
Octadecanoic acid, sodium salt (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, sodium salt (1:1) 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)
Sodium stearate: Does not have an individual approval but may be used under an appropriate group standard
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- WI4725000
- ridadr
- 3077
- hs_code
- 29157090
- 化審法
- (2)-611, (7)-973 優先評価化学物質
- 安衛法
- 57,57-2
- safety_code
- 24/25
- hazard_class
- 9
- packing_group
- III
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 822-16-2(Hazardous Substances Data)
化学と産業
用途と製造
Uses
CIR ingredient: Sodium Stearate
Used in cosmetics, pharmaceuticals, food additives, waterproofing agents, plastic stabilizers, emulsifiers, and rubber lubricants and dusting agents; Stearic acid occurs naturally in human and animal fats and oils and in some vegetable oils, including cocoa oil. Stearic acid can be prepared from animal fat (triglyceride) by treating with water at high temperature, leading to hydrolysis of triglycerides, or by hydrogenation of unsaturated vegetable oils such as cottonseed oil. [ACGIH]
Used in pharmaceuticals (emulsifying and stiffening agent); in glycerol suppositories; in toothpastes; as waterproofing agent; as gelling agent; in cosmetics; as stabilizer in plastics; and as topical medication; [HSDB] Used in various cleaning products (most common ingredient in soap); as food additive (binder, emulsifier, and anti-caking agent); [CHEMINFO]
IN GLYCEROL SUPPOSITORIES; ALSO IN TOOTHPASTE; AS WATERPROOFING AGENT; PHARMACEUTIC AID (EMULSIFYING & STIFFENING AGENT)
MEDICATION: HAS BEEN USED TOPICALLY IN SYCOSIS & OTHER SKIN DISEASES
GELLING AGENT; IN COSMETICS; STABILIZER IN PLASTICS
U.S. Production
2023: 5,500,000 - <7,000,000 lb;2022: 7,000,000 - <8,500,000 lb;2021: 7,000,000 - <8,500,000 lb;2020: 5,500,000 - <7,000,000 lb
(1986) No Data
Formulations/Preparations
"BONDERLUBE" TRADEMARK FOR SOAP-LIKE CHEMICAL COMPOSITION FOR TREATING METAL SURFACES WHICH HAVE BEEN PRETREATED WITH PHOSPHATIZING COATING CHEMICALS, TO FORM A LUBRICANT LAYER ADAPTED TO COLD FORMING & TO RETARD THE FORMATION OF RUST. /BONDERLUBE/
"FLEXICHEM" TRADEMARK FOR A SERIES OF SOAPS COMPOSED OF SODIUM STEARATE, ZINC STEARATE, POTASSIUM STEARATE, & POTASSIUM OLEATE. FOOD GRADE MATERIALS AVAILABLE. USES: GELLING & THICKENING AGENT, LUBRICANT, CONCRETE WATER ABSORPTION REDUCING AGENTS, PLASTICIZER, & PROCESSING AIDS FOR RUBBER & METAL PRODUCTS. /FLEXICHEM/
SODIUM STEARATE, THE PRIMARY GELLING AGENT FOR DEODORANT STICKS, CONSTITUTES ABOUT 7-9 wt% OF THESE PRODUCTS
Use Classification
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
Cosmetics -> Viscosity controlling; Surfactant; Cleansing; Emulsifying
General Manufacturing Information
Agriculture, Forestry, Fishing and Hunting;Computer and Electronic Product Manufacturing;Electrical Equipment, Appliance, and Component Manufacturing;Soap, Cleaning Compound, and Toilet Preparation Manufacturing;Transportation Equipment Manufacturing;Petroleum Lubricating Oil and Grease Manufacturing;Rubber Product Manufacturing;Machinery Manufacturing;Food, beverage, and tobacco product manufacturing;Not Known or Reasonably Ascertainable;All Other Chemical Product and Preparation Manufacturing;Fabricated Metal Product Manufacturing;Plastics Material and Resin Manufacturing
Octadecanoic acid, sodium salt (1:1): ACTIVE
応用分野
用途合成ゴムや合成樹脂の乳化重合剤及び分散剤、離型剤、ハミガキ粉、防水剤、無機粉体の表面改質剤、炭カルコーティング剤、アクリルゴム加硫促進剤、化粧品原料(清浄用化粧品、頭髪用化粧品、基礎化粧品、メークアップ化粧品、芳香化粧品、日焼け?日焼け止め化粧品、爪化粧品、アイライナー化粧品、口唇化粧品、口腔化粧品、入浴用化粧品)
用途界面活性剤、洗剤添加物、防水剤。
説明Sodium stearate is the sodium salt of stearic acid. This white solid is the most common soap. It is found in many types of solid deodorants, rubbers, latex paints, and inks. It is also a component of some food additives and food flavorings.
使用sodium stearate is a fatty acid used as a waterproofing agent. Sodium stearate is one of the least allergy-causing sodium salts of fatty acids. It is non-irritating to the skin.
調製方法
Sodium stearate is produced as a major component of soap upon saponification of oils and fats. The percentage of the sodium stearate depends on the ingredient fats. Tallow is especially high in stearic acid content (as the triglyceride), whereas most fats only contain a few percent. The idealized equation for the formation of sodium stearate from stearin (the triglyceride of stearic acid) follows : (C18H35O2)3C3H5 → C3H5(OH)3 + 3 C17H35CO2Na Purified sodium stearate can be made by neutralizing stearic acid with sodium hydroxide.
純化方法It is better to prepare it by adding a slight excess of octadecanoic acid to ethanolic NaOH, evaporating and extracting the residue with dry Et2O. [Beilstein 2 III 1003.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義本品は、ステアリン酸(*)のナトリウム塩であり、次の化学式で表される。参照表示名称:ステアリン酸
定義ChEBI: Sodium octadecanoate is an organic sodium salt comprising equal numbers of sodium and stearate ions. It has a role as a detergent. It contains an octadecanoate.
関連反応
関連ノート
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