에이코사노 산
Eicosanoic Acid
기본 정보
- CAS
506-30-9- 표준 SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
VKOBVWXKNCXXDE-UHFFFAOYSA-N- 분자식
- C20H40O2
- 평균 분자량
- 312.5 g/mol
- 단동위원소 질량
- 312.30283051
개요
Icosanoic acid is a C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of an icosanoate.
이름 및 식별자
- 우선 이름
- Eicosanoic Acid
- IUPAC
- icosanoic acid
- 현지명
- 에이코사노 산
- 영어명
- Arachidic acid
- 분자식
- C20H40O2
- 분자량
- 312.53
이름 및 동의어
Arachidic acidIcosanoic acidEICOSANOIC ACID506-30-9Arachic acidn-Eicosanoic acidPQB8MJD4RBfatty acid 20:0C20:0NSC-93983DTXSID1060134CHEBI:28822
이름 더 보기
에이코사노산에이코사노산아라키딕애씨드아라크산아라키딘산1-에이코산산C20CAPRICIcosansureEicosansαureeicosoic acid
DTXCID3040859RefChem:5559208-031-3Arachidinic acidElcosanoic AcidMFCD00002755Arachidicn-eicosanoate
데이터베이스 식별자
- CAS
506-30-9- PubChem CID
- 10467
- DTXSID
DTXSID1060134- ChEMBL
CHEMBL1173381- ChEBI
CHEBI:28822- UNII
- PQB8MJD4RB
- EC Number
- 208-031-3
- Nikkaji
- J2.607G
물성
구조 계산 물성
- XLogP
- 8.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 226
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]
Cosmetics
Cosmetic ingredients (Arachidic Acid) -> CIR (Cosmetic Ingredient Review)
Emulsifying
LogP
9.29
9.29
Boiling Point328.00 °C. @ 760.00 mm Hg
Melting Point75.4 °C
Physical Description
Liquid; Other Solid
Solid; [Merck Index] White crystalline flakes; [Alfa Aesar MSDS]
Solid
Ionization Efficiency
Positive
1.25
2.7
Agilent XCT
Electrospray ionization
formic acid (5.3nM)
Collision Cross Section
184.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Sample Type: Human bronchoalveolar lavage fluid (BALF); Dataset: Unambiguous Lipids]
183.41 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
199.97 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
186.17 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
185.1 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
185 Ų [M-H]-
물리화학적 성질
- 녹는점
- 74 · 74-76 °C(lit.)
- 끓는 점
- 328 °C · 328 °C
- 밀도
- 4100 · d4100 0.8240
- 증기압
- 0 Pa · 0Pa at 25℃
- 굴절률
- 100 · nD100 1.4250
- 인화점
- 110 °C · 110 °C
- 저장 조건
- -20 °C · -20°C
- 용해도
- 50 mg/mL, · 클로로포름: 50mg/mL, 투명, 무색
- 산도 계수 (pKa)
- 4.78 · 4.78±0.10(Predicted)
- 물리적 상태
- 반짝이는 가루 또는 조각
- 색상
- 하얀색
- 수용성
- 실질적으로 불용성
- 비열
- 1.74 J/ · Cp(crystal): 1.74 J/(g·K), at 25℃
- Merck
- 14 · 14,764
- BRN
- 1788211 · 1788211
- Henry's Law Constant
- 1.7 · 1.7×10-1 mol/(m3Pa) at 25℃, Abraham (2003)
- 화장품 원료 기능
- 계면활성제 - 유화제계면활성제 - 세정세척제불투명화
- InChI
- 1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
- InChIKey
- VKOBVWXKNCXXDE-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCCCCC(O)=O
- LogP
- 1.571 at · 1.571 at 33℃
- NIST
- Eicosanoic acid(506-30-9)
- EPA
- Eicosanoic acid (506-30-9)
화학적 성질
Arachidic acid is also known as eicosanoic acid or Icosanoic acid, formula CH3(CH2)18COOH. A widely distributed, but minor, component of the fats of certain edible vegetable oils. Shining, white crystalline leaflets; soluble in ether, slightly soluble in water. Decomposes at 328 C. Commercial product derived from groundnut (peanut) oil. Used in organic synthesis, lubricating greases, waxes, and plastics. Source of arachidyl alcohol.
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 10.2% (29 of 285) of reports.
Warning
H315 (89.8%): 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 285 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Eicosanoic acid
Eicosanoic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Eicosanoic acid 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)
REACH registered substance: Icosanoic acid (EC: 208-031-3)
Eicosanoic acid: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Eicosanoic acid: Environment tier I assessment
Hazards Summary
n-Alkyl carboxylic acids: Category members demonstrate low acute oral, dermal, and inhalation toxicity; Low potential to cause skin sensitization; Low repeated-dose toxicity; Low or no reproductive or developmental toxicity; [EPA ChAMP: Hazard Characterization] A skin and strong eye irritant; [Alfa Aesar MSDS]
EPA Safer ChemicalChemical: Eicosanoic acid
Hazard Classes and CategoriesSkin Irrit. 2 (89.8%)
독성 정보
Toxicity Summary
The CIR Expert Panel concluded that the following ingredients are safe in the present practices of use andconcentration described in the safety assessment when formulated to be non-irritating and non-sensitizing, which may be basedon a QRA...Arachidic Acid...
Safe for use in cosmetics, with qualifications
안전 데이터
- wgk
- -
- tsca
- TSCA listed
- rtecs
- JX3780000
- HS 번호
- 29159000
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 24/25-36-26
- 위험 등급
- IRRITANT
- 기존화학 물질
- KE-01898
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Tissue LocationsPlacenta
Cellular LocationsCytoplasm
용도 및 제조
Uses
CIR ingredient: Arachidic Acid
Fatty acid present in peanut oil, vegetable oil, fish oil, etc.; [Merck Index]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesSoil amendments (fertilizers)
Industry UsesIntermediate
Household ProductsInformation on 20 consumer products that contain Arachidic 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
Cosmetics -> Emulsifying
General Manufacturing Information
Mining (except Oil and Gas) and support activities
Eicosanoic acid: ACTIVE
응용 분야
출처Arachidic acid is a saturated long-chain fatty acid and a minor constituent of peanut oil, coconut oil and corn oil.
용도Arachidic acid is used in the manufacture of pharmaceuticals, soaps, cosmetics, and food packaging because of its surfactant-like properties. Arachidic acid was also used for the dispersion of the monolayer. By addition of an appropriate amount of arachidic acid to a solution of [Eu(tta)3(phen)] in chloroform, stable monolayers consisting of [Eu(tta)3(phen)] and arachidic acid were obtained, and the [Eu(tta)3(phen)] were found to be dispersed homogeneously in the monolayer.
제조 방법
Eicosanoic acid is produced by catalytic hydrogenation of arachidonic acid. Arachidonic acid is obtained from food or by desaturation and chain elongation of the plant-rich essential fatty acid, linoleic acid.
상·하류 제품 정보
하류 제품
추가 설명
정의ChEBI: Icosanoic acid is a C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and a long-chain fatty acid. It is a conjugate acid of an icosanoate.
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