테트라코산산
Tetracosanoic Acid
기본 정보
- CAS
557-59-5- 표준 SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
QZZGJDVWLFXDLK-UHFFFAOYSA-N- 분자식
- C24H48O2
- 평균 분자량
- 368.6 g/mol
- 단동위원소 질량
- 368.36543077
개요
Tetracosanoic acid is a C24 straight-chain saturated fatty acid. It has a role as a volatile oil component, a plant metabolite, a human metabolite and a Daphnia tenebrosa metabolite. It is a very long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tetracosanoate.
이름 및 식별자
- 우선 이름
- Tetracosanoic Acid
- IUPAC
- tetracosanoic acid
- 현지명
- 테트라코산산
- 영어명
- Lignoceric acid
- 분자식
- C24H48O2
- 분자량
- 368.64
이름 및 동의어
Lignoceric acidTetracosanoic acid557-59-5N-TETRACOSANOIC ACIDRK3VCW5Y1Lfatty acid 24:0CHEBI:28866DTXSID6021664RefChem:153409DTXCID701664209-180-7Tetracosansaeure
이름 더 보기
테트라코산산L88Tetracosanoic Acid(C24:0)FL88C24:0 ACIDLignoceric aciL88(fattyacid)carnaubic acidTetracosansureFL88(fattyacid)
tetracosanic acidtetraicosanoic acidMFCD00002810LignozerinsaeureFA 24:0N-LignocericacidUNII-RK3VCW5Y1Ltetracosanoic acid (lignoceric acid)
데이터베이스 식별자
- CAS
557-59-5- PubChem CID
- 11197
- DTXSID
DTXSID6021664- ChEMBL
CHEMBL1173620- ChEBI
CHEBI:28866- UNII
- RK3VCW5Y1L
- EC Number
- 209-180-7
- Nikkaji
- J11.350F
물성
구조 계산 물성
- XLogP
- 10.7
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 22
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 275
실험 및 물리화학적 성질
Chemical ClassesBiological Agents -> Fatty Acids and Fats
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Melting Point84.2 °C
Physical Description
Solid; [Merck Index] White solid; [Sigma-Aldrich MSDS]
Solid
Ionization Efficiency
Positive
0.71
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
199.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
216.86 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
201.11 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
197.93 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
200.9 Ų [M-H]-
물리화학적 성질
- 녹는점
- 80 · 80-82 °C
- 끓는 점
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 2.5% (1 of 40) of reports.
Warning
H315 (97.5%): 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationTetracosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
EPA Safer ChemicalChemical: Lignoceric acid
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
안전 데이터
- wgk
- -
- tsca
- TSCA listed
- HS 번호
- 29159000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- 기존화학 물질
- KE-33317
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsFibroblasts
Cellular LocationsCytoplasm
Metabolite PathwaysAdrenoleukodystrophy, X-linked
용도 및 제조
UsesFound in the seed fat of the Indian tree Adenanthera pavonina and in most natural fats; Obtained from beechwood tar or by distillation of rotten oak wood; [Merck Index]
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 InformationTetracosanoic acid: ACTIVE
응용 분야
개요Lignoceric acid is a 24-carbon saturated (24:0) fatty acid. In mammals, it is synthesized during brain development and is found in cerebrosides. The deficient peroxisomal oxidation of very-long-chain fatty acids, including lignoceric acid, contributes to certain syndromes, including Zellweger cerebro-hepato-renal syndrome and X chromosome-linked adrenoleukodystrophy. Lignoceric acid is also a by-product of lignin production.
용도Tetracosanoic Acid is a chemical component of a dried mushroom powder exhibiting antioxidant properties. It is a long chain fatty acid present in peanut oil.
상·하류 제품 정보
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