Methyl 12-hydroxystearate (HCID 8840)

概要

structure

名称と識別子

優先名称: Methyl 12-hydroxystearate
IUPAC: methyl 12-hydroxyoctadecanoate
現地名: 12-ヒドロキシステアリン酸メチル
英語名: Methyl 12-hydroxystearate
分子式: C19H38O3
分子量: 314.5

名称と別名

Methyl 12-hydroxyoctadecanoate141-23-1METHYL 12-HYDROXYSTEARATEKemester 1288Methyl hydroxystearateOctadecanoic acid, 12-hydroxy-, methyl esterParacin 112-Hydroxystearic acid, methyl esterMethyl-12-hydroxystearateP7UC7KGL82Stearic acid, 12-hydroxy-, methyl esterDTXSID8027086

名称をさらに表示

12-ヒドロキシオクタデカン酸メチルケメスター128812-ヒドロキシステアリン酸メチル12‐ヒドロキシステアリン酸メチル標準品12-ヒドロキシステアリン酸メチル, 10.0 mg/mL in Hexaneメチル 12-ヒドロキシオクタデカノアート12-ヒドロキシステアリン酸メチル標準品12-HYDROXYSTEARIC ACID METHYL ESTERcenwaxmeNSC 2392kemester1288UNII:P7UC7KGL82methylhydroxystearate(r-(z))-octadecanoicaciMethyl 12-hydroxystearate CRS

Methyl-12-hydroxyoctadecanoateNSC-2392DTXCID507086AEC METHYL HYDROXYSTEARATERefChem:812784DTXCID401776676DTXSID901347937205-471-8

データベース識別子

CAS: 141-23-1
PubChem CID: 8840
DTXSID: DTXSID8027086
ChEMBL: CHEMBL2139695
UNII: P7UC7KGL82
EC Number: 205-471-8
Nikkaji: J141.036I

物性

構造計算による物性

XLogP: 6.6
極性表面積: 46.5 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 17
重原子数: 22
形式電荷: 0
複雑度: 241

実験および物理化学的性質

Chemical ClassesOther Classes -> Stearates

CosmeticsEmollient; Skin conditioning

pH4

Color/FormWHITE, WAXY SOLID IN FORM OF SHORT FLAT RODS

SolubilityINSOL IN WATER; LIMITED SOLUBILITY IN ORGANIC SOLVENTS

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

融点: 53.5 °C · 53.5°C
沸点: 394.16 °C · 394.16°C (rough estimate)
比重(密度): 1.0196 · 1.0196 (rough estimate)
蒸気圧: 0 Pa · 0Pa at 25℃
屈折率: 1.441 · 1.4410 (estimate)
貯蔵温度: 20 °C · −20°C
溶解性: クロロホルム（微量）、メタノール（微量）
酸解離定数(Pka): 15.4 · 15.40±0.20(Predicted)
外見: powder
色: ホワイトからオフホワイト
水溶解度: 89.94 μg/L · 89.94μg/L at 25℃
化粧品成分の機能: 皮膚コンディショニング剤 - 保湿剤スキンコンディショニング
InChI: InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3
InChIKey: RVWOWEQKPMPWMQ-UHFFFAOYSA-N
SMILES: C(OC)(=O)CCCCCCCCCCC(O)CCCCCC
LogP: 6.69 at · 6.69 at 25℃
CAS データベース: 141 · 141-23-1(CAS DataBase Reference)
EPAの化学物質情報: 12 · Octadecanoic acid, 12-hydroxy-, methyl ester (141-23-1)

化学的性質

化学的特性White, waxy solid in the form of shortflat rods.Acid value 4, saponification value177, iodine value 5. Insoluble in water; limited sol-ubility in organic solvents. Combustible.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 87.2% (41 of 47) of all reports.

Warning

H319 (12.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 3 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 4 件

Chemical: Octadecanoic acid, 12-hydroxy-, methyl ester

Octadecanoic acid, 12-hydroxy-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecanoic acid, 12-hydroxy-, methyl ester 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)

Status: Active Update: 01-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/20649

Octadecanoic acid, 12-hydroxy-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummarySee STEARATES.

Hazard Classes and CategoriesEye Irrit. 2 (12.8%)

安全と保護具

Threshold Limit Values (TLV) · 3 件

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/

毒性情報

Non-Human Toxicity Excerpts · 2 件

METHYL 12-HYDROXYSTEARATE INDUCED SARCOMAS IN MICE AT THE SITE OF REPEATED SUBCUTANEOUS INJECTIONS.

ADDITION OF 30 MILLIMICRON MOLAR METHYL 12-HYROXYSTEARATE INTO RAT LIVER MITOCHONDRIAL PREPARATION CAUSED SIGNIFICANT DAMAGE & UNCOUPLING OF THE MITOCHONDRIAL FUNCTION. MITOCHONDRIAL ADENOSINETRIPHOSPHATASE WAS INDUCED.

Evidence for CarcinogenicityA4; Not classifiable as a human carcinogen. /Stearates; does not include stearates of toxic metals/

安全データ

wgk: 3
tsca: TSCA listed
hs_code: 2918195000
ストレージクラス: 11 - Combustible Solids
有毒物質データの: 141-23-1(Hazardous Substances Data)

化学と産業

用途と製造

Uses · 6 件

Used in inks, cosmetics, adhesives, and greases; Also used as a defoaming agent for paper and paperboard manufacturing and as a mold-release agent for elastomers; [HSDB]

Pulp and Paper Processing [Category: Industry]

IN ADHESIVES; INKS; COSMETICS; GREASES

COMPONENT OF ADHESIVES FOR USE IN CONTACT WITH FOOD

DEFOAMING AGENT IN MFR OF PAPER & PAPERBOARD

INTERNAL LUBRICANT & MOLD-RELEASE AGENT FOR ELASTOMERS

U.S. Exports · 2 件

(1979) No Data

(1981) No Data

U.S. Imports · 2 件

(1979) No Data

(1981) No Data

U.S. Production · 3 件

2023: 100,000 - <250,000 lb

(1979) PROBABLY GREATER THAN 4.54X10+6 GRAMS

(1981) PROBABLY GREATER THAN 4.54X10+6 GRAMS

Industry UsesProcessing aids not otherwise specified

Methods of ManufacturingREACTION OF HYDROGENATED CASTOR OIL WITH METHANOL

応用分野 · 2 件

説明Methyl 12-hydroxy stearate is won by direct esterfication of 12-Hydroxy stearic acid with methanol. Methyl 12-hydroxy stearate is sold in solid and liquid form. It is used in the continuous grease process. Greases made with Methyl 12-hydroxy stearate can be formulated to higher drop points. Greases experience less bleeding and improved oxidative stability. Methyl 12-hydroxy stearate is also used in textile ancillary, cosmetics and paper industry. appearance white to solid flakes or liquid melting point °C 45 - 53 AOCS Cc 1-25 colour (on 1” Lovibond) max. 3 yellow / max. 1,5 red AOCS 13e-92 acid value mg KOH/g max. 10 AOCS Cd 3d-63 iodine value 9 I2 /100g max. 5 AOCS Cd 1-25 hydroxyl value 160 - 178 AOCS Cd 13-60 saponification value mg KOH/g 170 - 180 AOCS Cd 3-25 water wt % max. 0,5 IS 548 unsaponifiable wt % max. 0,5 IS 548 titre of fatty acids °C 73 - 75 IS 548 Nickel + Iron ppm max. 10 ICP Sodium + Potassium ppm max. 20 ICP Magnesium + Calcium ppm max. 50 ICP

使用Methyl 12-Hydroxystearate is a fatty acid reagent used in the study of sphingomyelin through site specific deuterium labelling. Also used in the preparation of ricinoleate-based lipoconjugates of phenolic acids for antioxidant and antifubgal properties.

サプライヤー50 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

12-ヒドロキシステアリン酸メチル

基本情報

概要