12-ヒドロキシステアリン酸メチル
Methyl 12-hydroxystearate
基本情報
- CAS
141-23-1- 標準SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OC- InChIKey
RVWOWEQKPMPWMQ-UHFFFAOYSA-N- 分子式
- C19H38O3
- 平均分子量
- 314.5 g/mol
- 単同位体質量
- 314.28209507
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 esterStearic acid, 12-hydroxy-, methyl esterMethyl-12-hydroxystearateP7UC7KGL82DTXSID8027086
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-hydroxyoctadecanoateAEC METHYL HYDROXYSTEARATENSC-2392DTXCID507086RefChem: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 Ų
- 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
Melting Point48 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Large Crystals; Other Solid
White solid; [Hawley] White waxy solid in the form of short flat rods; [MSDSonline]
Collision Cross Section194.2 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID8027086]
Other Experimental PropertiesSAPONIFICATION VALUE 177; IODINE VALUE 5
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
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
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)
REACH registered substance: Methyl 12-hydroxyoctadecanoate (EC: 205-471-8)
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)
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/
化学と産業
用途と製造
Uses
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
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
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
Use ClassificationCosmetics -> Emollient; Skin conditioning
General Manufacturing Information
Rubber Product Manufacturing
Octadecanoic acid, 12-hydroxy-, methyl ester: ACTIVE
応用分野
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
関連反応
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化合物ノート
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