(R-(Z))-메틸 12-히드록시-9-옥타데켄산염

Methyl Ricinoleate

HCID 5354133

기본 정보

CAS
141-24-2
표준 SMILES
CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)OC
InChIKey
XKGDWZQXVZSXAO-ADYSOMBNSA-N
분자식
C19H36O3
평균 분자량
312.5 g/mol
단동위원소 질량
312.26644501

이름 및 식별자

우선 이름
Methyl Ricinoleate
IUPAC
methyl (Z,12R)-12-hydroxyoctadec-9-enoate
현지명
(R-(Z))-메틸 12-히드록시-9-옥타데켄산염
영어명
METHYL RICINOLEATE
분자식
C19H36O3
분자량
312.49

이름 및 동의어

Methyl ricinoleate141-24-2Flexricin P-1RICINOLEIC ACID, METHYL ESTERDTXSID202916990FDR3O96YDUB RMNSC-12549-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-DTXCID5091699-Octadecenoic acid, 12-hydroxy-, methyl ester, (R-(Z))-9-Octadecenoic acid, 12-hydroxy-, methyl ester, [R-(Z)]-
이름 더 보기
리시놀레산,메틸에스터(R-(Z))-메틸12-하이드록시-9-옥타데켄산염(R-(Z))-메틸12-히드록시-9-옥타데켄산염(R-(Z))-메틸12-하이드록시-9-옥타데켄산염메틸리시놀리에이트리시놀레산, 메틸 에스터NSC 1254flexricinp-1Methyl ricinateMethylRicinoleate>Methyl ricinoleate CRSMETHYL 12-HYDROXYOLEATE
Methyl 12-hydroxy-9-octadecenoateRefChem:883625205-472-3Ricinoleic acid methyl esterMethyl ricinolatemethyl (9Z,12R)-12-hydroxyoctadec-9-enoatemethyl (Z,12R)-12-hydroxyoctadec-9-enoateMFCD00046712

데이터베이스 식별자

CAS
141-24-2、23224-20-6
PubChem CID
5354133
DTXSID
DTXSID2029169
ChEMBL
CHEMBL3183150
ChEBI
CHEBI:156194
UNII
90FDR3O96Y
EC Number
205-472-3
Nikkaji
J25.083J

물성

구조 계산 물성

XLogP
6.1
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
16
무거운 원자 수
22

실험 및 물리화학적 성질

Density0.9236 at 22 °C/4 °C
Color/FormColorless liquid
SolubilitySoluble in alcohol, ether
Boiling PointBP: 245 °C at 10 mm Hg
Melting PointFreezing point: -4.5 °C
Refractive IndexIndex of refraction: 1.4628

물리화학적 성질

녹는점
-29 °C · -29°C
끓는 점
170 °C · 170°C 1mm
밀도
0 · 0,925 g/cm3
Pour Point
-29 · -29
증기압
0.091 Pa · 0.091Pa at 20℃
굴절률
1.4638 · 1.4638 (589.3 nm 16℃)

안전 및 규제

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 100% (141 of 141) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 141 of 141 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 141 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 141 of 141 reports by companies.;There are 0 notifications provided by 0 of 141 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.

유해성 정보

Regulatory Information · 5건

Chemical: 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-

Chemical: 9-Octadecenoic acid, 12-hydroxy-, methyl ester

9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)- 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: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24790;Status: Active Update: 19-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19358

9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety Information · 2건

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Evaluation - Chemicals that are unlikely to require further regulation to manage risks to environment;Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health

Hazards SummaryMay cause irritation; [MSDSonline]
Hazard Classes and CategoriesNot Classified

안전 및 보호

Disposal Methods · 1건

SRP: Criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

독성 정보

Environmental Fate · 3건

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 3,700(SRC), determined from a structure estimation method(2), indicates that ricinoleic acid, methyl ester is expected to have slight mobility in soil(SRC). Volatilization of ricinoleic acid, methyl ester from moist soil surfaces may occur(SRC) given an estimated Henry's Law constant of 1.47X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Ricinoleic acid, methyl ester is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.85X10-8 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). Biodegradation data in soil were not available(SRC, 2010).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 3,700(SRC), determined from a structure estimation method(2), indicates that ricinoleic acid, methyl ester is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces may be expected(3) based upon an estimated Henry's Law constant of 1.47X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 10 months and 9 years, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column. The estimated volatilization half-life from a model pond is 175 years if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 370(SRC), from an estimated log Kow of 6.48(7) and a regression-derived equation(2), suggests the potential for bioconcentration in aquatic organisms is high, provided the compound is not metabolized by the organism(SRC). Biodegradation data in water were not available(SRC, 2010).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), ricinoleic acid, methyl ester, which has an estimated vapor pressure of 6.85X10-8 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely in the particulate phase in the ambient atmosphere. Particulate-phase ricinoleic acid, methyl ester may be removed from the air by wet or dry deposition(SRC). Ricinoleic acid, methyl ester does not contain chromophores that absorb at wavelengths >290 nm(3), and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Average Daily IntakeThe FDA estimates the cumulative daily intake of ricinoleic acid, methyl ester to be 0.00035 mg/kg body weight per day(1).
Soil Adsorption/Mobility · 1건

Using a structure estimation method based on molecular connectivity indices(1), the Koc of ricinoleic acid, methyl ester can be estimated to be 3700(SRC). According to a classification scheme(2), this estimated Koc value suggests that ricinoleic acid, methyl ester is expected to have slight mobility in soil.

Artificial Pollution SourcesRicinoleic acid, methyl ester's production and use as an emollient in cosmetics(1) and as a plasticizer, lubricant, cutting oil additive, and wetting agent(2) may result in its release to the environment through various waste streams (SRC).
Environmental Biodegradation · 1건

PURE CULTURE: The average growth of the fungus Aspergillus versicolor and the bacterium Pseudomonas acruginosa on the commercial plasticizer ricinoleic acid, methyl ester, serving as the only carbon source, was 414 and 66 mg, respectively, after incubation for 7 days at 30 °C; flasks contained 2.1 g of ricinoleic acid, methyl ester and 70 mL mineral salts and yeast extract solution(1).

규제 정보

Regulatory Information · 5건

Chemical: 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-

Chemical: 9-Octadecenoic acid, 12-hydroxy-, methyl ester

9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)- 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: 23-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24790;Status: Active Update: 19-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19358

9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
3
tsca
TSCA listed
HS 번호
2918195000
기존화학 물질
KE-20773
F 고인화성물질
8-10-21
스토리지 클래스
10 - Combustible liquids

화학 및 산업

약리 정보

Absorption, Distribution and ExcretionIncorporation of ricinoleic acid into glycerides was increased after the administration of methyl ricinoleate by gastric intubation to thoracic duct-cannulated rats. Lymph was collected over a 48-hr period.

용도 및 제조

Uses · 6건

CIR ingredient: Methyl Ricinoleate

Used as a cutting oil additive, wetting agent, plasticizer (cellulose acetate butyrate resins, cellulose nitrate resins, ethyl cellulose resins, and polyvinyl acetate and butyral resins), lubricant for phenolic molding compounds, cosmetic additive for lipsticks, and intermediate for nylon 11; [HSDB]

Metal Machining [Category: Heat or Machine];Plastic Composites Manufacturing [Category: Industry]

Noncosmetic uses of methyl ricinoleate include: plasticizer, lubricant, cutting oil additive, and wetting agent.

Used as a skin conditioning agent (emollient)

PLASTICIZER FOR CELLULOSE ACETATE BUTYRATE RESINS

U.S. Exports · 2건

(1979) No Data

(1981) No Data

U.S. Imports · 2건

(1979) No Data

(1981) No Data

U.S. Production · 6건

2023: <75,000 lb;2022: 75,000 - <500,000 lb;2021: 75,000 - <500,000 lb;2020: 500,000 - <1,000,000 lb

(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS

(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS

9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)- is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

9-Octadecenoic acid, 12-hydroxy-, methyl ester, (9Z,12R)- is listed as an Extended High Production Volume (EHPV). Chemicals listed as EHPV were produced in or imported into the U.S. in >1 million pounds according to the 2002 Toxic Substances Control Act (TSCA) Inventory Update. The EHPV program is a voluntary initiative that allows companies to demonstrate that adequate screening data exist for organic HPV chemicals.

For more U.S. Production (Complete) data for Ricinoleic acid, methyl ester (6 total), please visit the HSDB record page.

Industry UsesIntermediate
Methods of Manufacturing · 2건

Methyl ricinoleate has been obtained by alcoholysis of castor oil, followed by fractional distillation of the crude esters and further purification by low temperature crystallization. According to a more recent source, methyl ricinoleate is a product of either the esterification of ricinoleic acid or the alcoholysis of castor oil; the product is purified by vacuum distillation.

Transesterification of castor oil with excess methyl alcohol followed by vacuum distillation

응용 분야 · 1건

용도Ricinoleic acid, formally called 12-hydroxy-9-cis-octadecenoic acid is a fatty acid. It is an unsaturated omega-9 fatty acid and a hydroxy acid. It is a major component of the seed oil obtained from mature Castor plant (Ricinus communis L., Euphorbiaceae) seeds or in sclerotium of ergot (Claviceps purpurea Tul., Clavicipitaceae). About 90% of the fatty acid content in castor oil is the triglyceride formed from ricinoleic acid.

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

관련 반응

5건

화합물 노트

불러오는 중…