기본 정보
- CAS
112-63-0- 표준 SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC- InChIKey
WTTJVINHCBCLGX-NQLNTKRDSA-N- 분자식
- C19H34O2
- 평균 분자량
- 294.5 g/mol
- 단동위원소 질량
- 294.25588033
개요
Methyl linoleate is a fatty acid methyl ester of linoleic acid. It has been isolated from Neolitsea daibuensis. It has a role as a plant metabolite. It is functionally related to a linoleic acid.
이름 및 식별자
- 우선 이름
- Methyl linoleate
- IUPAC
- methyl (9Z,12Z)-octadeca-9,12-dienoate
- 현지명
- 메틸 리놀레산
- 영어명
- METHYL LINOLEATE
- 분자식
- C19H34O2
- 분자량
- 294.47
이름 및 동의어
METHYL LINOLEATE112-63-0Linoleic acid methyl estermethyl (9Z,12Z)-octadeca-9,12-dienoateLinoleic acid, methyl esterMethyl octadecadienoateMethyl 9-cis,12-cis-octadecadienoateLinoleic acid,methyl ester9,12-Octadecadienoic acid (Z,Z)-, methyl ester9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester24N6726DE5RADIA 7062
이름 더 보기
루티다인(2,3-)메틸리놀레산염메틸일노르산메틸리놀레산메틸리놀레산염메틸리놀리에이트메틸 리놀레산메틸시스,시스-9,12-옥타데카디에노에이트cis-9,cis-12-octadecadienoic acid methyl estermethyl linolate9,12-Octadecadienoicacid(Z,Z)-,methylesterFEMA 3411methyllinolate(Z,Z)-9,12-octadecadienoic acid methyl esterMethyl(Z,Z)-9,12-octadecadienateMethyl (Z,Z)-9,12-octadecadienoate
CHEBI:69080NSC-93981FEMA NO. 3411, METHYL LINOLEATE-RefChem:157925203-993-0Methyl lineoleateMethyl linoleate, native(9Z,12Z)-Methyl octadeca-9,12-dienoate
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 279
실험 및 물리화학적 성질
CosmeticsEmollient; Skin conditioning
SpringerMaterials PropertiesBoiling point
FragrancesFragrance Ingredient (Methyl linoleate) -> IFRA transparency List
LogP
6.82
6.82
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point373.00 to 374.00 °C. @ 760.00 mm Hg
Melting Point-35 °C
Physical DescriptionLiquid
Collision Cross Section
183.18 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
186 Ų [M+H]+
물리화학적 성질
- 녹는점
- -35 °C · -35 °C (lit.)
- 끓는 점
- 192 °C/4 · 192 °C/4 mmHg (lit.)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for > 99.9% (1563 of 1564) of all reports.
Not Classified
Aggregated GHS information provided per 1564 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 9,12-Octadecadienoic acid, (Z,Z)-, methyl ester
Methyl linoleate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 9,12-Octadecadienoic acid, (Z,Z)-, methyl ester: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1206 3/PG 2
- HS 번호
- 29161500
- risk_code
- 11-38-50/53-65-67
- hazard_code
- F,Xn,N
- safety_code
- 23-24/25-62-61-60-33-29-16-9
- 기존화학 물질
- KE-26314
- F 고인화성물질
- 10-23
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Cosmetics -> Emollient; Skin conditioning
General Manufacturing Information9,12-Octadecadienoic acid (9Z,12Z)-, methyl ester: ACTIVE
응용 분야
출처Reported found in banana, grape, grapefruit juice, melon, strawberries, mushroom and cassava.
용도Methyl Linoleate is a common methyl ester produced from soybean or canola oil and methanol. Methyl Linoleate is classified as a biodiesel due to its long methyl ester chain and is used as a fuel in st andard diesel engines.
일반 설명Methyl linoleate, non-conjugated, is more easily oxidized than conjugated methyl linoleate .
상·하류 제품 정보
상류 원료
관련 반응
9건
화합물 노트
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