메틸 12-히드록시스테아르산
Methyl 12-hydroxystearate
기본 정보
- CAS
141-23-1- 표준 SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OC- InChIKey
RVWOWEQKPMPWMQ-UHFFFAOYSA-N- 분자식
- C19H38O3
- 평균 분자량
- 314.5 g/mol
- 단동위원소 질량
- 314.28209507
개요
structure
이름 및 식별자
- 우선 이름
- Methyl 12-hydroxystearate
- IUPAC
- methyl 12-hydroxyoctadecanoate
- 현지명
- 메틸 12-히드록시스테아르산
- 영어명
- Methyl 12-hydroxystearate
- 분자식
- C19H38O3
- 분자량
- 314.5
이름 및 동의어
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
이름 더 보기
메틸12-하이드록시스테아르산메틸12-히드록시스테아르산메틸12-하이드록시스테아르산12-HYDROXYSTEARIC ACID METHYL ESTERcenwaxmeNSC 2392kemester1288UNII:P7UC7KGL82methylhydroxystearate(r-(z))-octadecanoicaciMethyl 12-hydroxystearate CRS
Methyl-12-hydroxyoctadecanoateAEC METHYL HYDROXYSTEARATENSC-2392DTXCID507086RefChem:812784DTXCID401776676DTXSID901347937205-471-8
데이터베이스 식별자
- CAS
141-23-1- PubChem CID
- 8840
- DTXSID
DTXSID8027086- ChEMBL
CHEMBL2139695- UNII
- P7UC7KGL82
- EC Number
- 205-471-8
- Nikkaji
- J141.036I
물성
구조 계산 물성
- XLogP
- 6.6
- 극성 표면적
- 46.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 17
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 241
실험 및 물리화학적 성질
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 Properties
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
안전 및 보호
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/
화학 및 산업
용도 및 제조
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
응용 분야
개요Methyl 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
관련 반응
4건
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