메틸 12-히드록시스테아르산

Methyl 12-hydroxystearate

HCID 8840CAS 141-23-1
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기본 정보

표준 SMILES
CCCCCCC(O)CCCCCCCCCCC(=O)OC
InChIKey
RVWOWEQKPMPWMQ-UHFFFAOYSA-N
분자식
C19H38O3
평균 분자량
314.5 g/mol
단동위원소 질량
314.28209508

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 esterMethyl-12-hydroxystearateP7UC7KGL82Stearic acid, 12-hydroxy-, methyl esterDTXSID8027086
이름 더 보기
메틸12-하이드록시스테아르산메틸12-히드록시스테아르산메틸12-하이드록시스테아르산12-HYDROXYSTEARIC ACID METHYL ESTERcenwaxmeNSC 2392kemester1288UNII:P7UC7KGL82methylhydroxystearate(r-(z))-octadecanoicaciMethyl 12-hydroxystearate CRS
Methyl-12-hydroxyoctadecanoateNSC-2392DTXCID507086AEC METHYL HYDROXYSTEARATERefChem: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

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

물리화학적 성질

녹는점
53.5 °C · 53.5°C
끓는 점
394.16 °C · 394.16°C (rough estimate)
밀도
1.0196 · 1.0196 (rough estimate)
증기압
0 Pa · 0Pa at 25℃
굴절률
1.441 · 1.4410 (estimate)
저장 조건
20 °C · −20°C

화학적 성질

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.

안전 및 규제

GHS 분류

GHS Classification · 5건

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 · 4건

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%)

안전 및 보호

Threshold Limit Values (TLV) · 3건

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/

독성 정보

Non-Human Toxicity Excerpts · 2건

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/

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
2918195000
기존화학 물질
KE-24293
스토리지 클래스
11 - Combustible Solids
유해 물질 데이터
141-23-1(Hazardous Substances Data)

화학 및 산업

용도 및 제조

Uses · 6건

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 · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 3건

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
응용 분야 · 2건

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

용도Methyl 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.

공급사50 곳

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]

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