기본 정보
- 표준 SMILES
CCCC/C=C\CCCCCCCC(=O)O- InChIKey
YWWVWXASSLXJHU-WAYWQWQTSA-N- 분자식
- C14H26O2
- 평균 분자량
- 226.35 g/mol
- 단동위원소 질량
- 226.19328007
개요
Myristoleic acid is a tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects. It has a role as an apoptosis inducer, a plant metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a long-chain fatty acid and a tetradecenoic acid. It is a conjugate acid of a myristoleate.
이름 및 식별자
- 우선 이름
- Myristoleic Acid
- IUPAC
- (Z)-tetradec-9-enoic acid
- 현지명
- 9-테트라데켄산
- 영어명
- MYRISTOLEIC ACID
- 분자식
- C14H26O2
- 분자량
- 226.35
이름 및 동의어
Myristoleic acid544-64-9(Z)-Tetradec-9-enoic acid9Z-tetradecenoic acidcis-9-tetradecenoic acid9-Tetradecenoic acid, (9Z)-9-Tetradecenoic acid(9Z)-Tetradecenoic acidcis-tetradec-9-enoic acidRF23WGD123DTXSID5041568CHEBI:27781
이름 더 보기
9-테트라데켄산C14:1 (CIS-9) ACIDMYRISTOLEIC ACID 99%(z)-9-tetradecenoicaci(Z)-9-TetradecenoicacidMyristoleic Acid(C14:1)9(Z)-Tetradecanoic acid
14:1(N-5)RefChem:160412Fatty Acid 14:1 n-5DTXCID3021568208-876-8(9Z)-tetradec-9-enoic acidMyristolenic acidsodium myristoleate
데이터베이스 식별자
- CAS
544-64-9- PubChem CID
- 5281119
- DTXSID
DTXSID5041568- ChEMBL
CHEMBL456732- ChEBI
CHEBI:27781- UNII
- RF23WGD123
- EC Number
- 208-876-8
- Nikkaji
- J11.362J
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 185
실험 및 물리화학적 성질
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physical Description
Liquid
Liquid
Collision Cross Section159.6 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
물리화학적 성질
- 녹는점
- 4.5 · −4.5-−4 °C(lit.)
- 끓는 점
- 144 °C0.6 · 144 °C0.6 mm Hg(lit.)
- 밀도
- 0.9 g/mL · 0.9 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.4562(lit.)
- 인화점
- 62 °C · 62 °C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 벤젠(약간 용해됨), 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 산도 계수 (pKa)
- 4.78 · 4.78±0.10(Predicted)
- 색상
- 무색
- 생물학적 소스
- plant
- InChI
- InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5-
- InChIKey
- YWWVWXASSLXJHU-WAYWQWQTSA-N
- SMILES
- C(O)(=O)CCCCCCC/C=C\CCCC
- LogP
- 5.383 · 5.383 (est)
- EPA
- 9 · 9-Tetradecenoic acid, (9Z)- (544-64-9)
화학적 성질
Colorless liquid. Found in fatof some seeds and in fish oil.
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 82.1% (569 of 693) of all reports.
Warning
H315 (13.9%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 693 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
9-Tetradecenoic acid, (9Z)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 9-Tetradecenoic acid, (9Z)- 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)
9-Tetradecenoic acid, (9Z)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
EPA Safer ChemicalChemical: Myristoleic acid
Hazard Classes and CategoriesSkin Irrit. 2 (13.9%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- NA 1993 / PGIII
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- 기존화학 물질
- KE-33372
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Tissue LocationsAdipose Tissue
Cellular LocationsExtracellular
용도 및 제조
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesBinder
Industry UsesAnti-static agent
Household ProductsInformation on 2 consumer products that contain Myristoleic acid in the following categories is provided:
Use Classification
EPA Safer Chemical Functional Use Classes -> Surfactants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
General Manufacturing Information
Plastics Product Manufacturing
9-Tetradecenoic acid, (9Z)-: ACTIVE
응용 분야
용도Myristoleic Acid induces apoptosis and necrosis in human prostrate cancer cell LNCaP, and is of a potential for developing an attractive new tool for the treatment of prostrate cancer.
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하류 제품
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