올레산
Elaidic Acid
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기본 정보
- CAS
112-79-8- 표준 SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)O- InChIKey
ZQPPMHVWECSIRJ-MDZDMXLPSA-N- 분자식
- C18H34O2
- 평균 분자량
- 282.5 g/mol
- 단동위원소 질량
- 282.25588032
개요
Elaidic acid is a 9-octadecenoic acid and the trans-isomer of oleic acid. It has a role as a food component. It is a conjugate acid of an Octadec-9-enoic acid anion and an elaidate. It derives from a hydride of a trans-octadec-9-ene.
이름 및 식별자
- 우선 이름
- Elaidic Acid
- IUPAC
- (E)-octadec-9-enoic acid
- 현지명
- 올레산
- 영어명
- ELAIDIC ACID
- 분자식
- C18H34O2
- 분자량
- 282.46
이름 및 동의어
Elaidic acid112-79-8(E)-octadec-9-enoic acidtrans-Oleic acidtrans-9-Octadecenoic acid9-Octadecenoic acid, (E)-(E)-Oleic acid9-octadecenoic acid, (9E)-trans-Octadec-9-enoic acid(E)-9-Octadecenoic acidtrans-Elaidic acidElaidinsaure
이름 더 보기
올레산ELAIDIC ACID, REAG.9-octadecenoicacid,(E)-(9Z)-Octadec-9-enoic acidC01712NSC 26988
acide elaidique(9E)-Octadecenoic acid9-trans-Octadecenoic acidElaidinic acidD9-trans-Octadecenoic acidtrans-D9-Octadecenoic acidCHEBI:279974837010H8C
데이터베이스 식별자
- CAS
112-79-8、112-80-1、2027-47-6- PubChem CID
- 637517
- DTXSID
DTXSID8058619- ChEMBL
CHEMBL460657- ChEBI
CHEBI:27997- UNII
- 4837010H8C
- EC Number
- 204-006-6
- Nikkaji
- J10.103F、J199.825K
물성
구조 계산 물성보충 중
- XLogP
- 6.5
- 극성 표면적
- 37.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 234
실험 및 물리화학적 성질
Chemical ClassesOther Classes -> Organic Acids
DrugsPharmaceuticals -> Listed in ZINC15
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
LogP6.78
Endocrine DisruptorsPotential endocrine disrupting compound
Melting Point42 - 44 °C
Physical Description
White solid; [Merck Index] White crystals; [Sigma-Aldrich MSDS]
Liquid
Collision Cross Section175.9 Ų [M-H]-
물리화학적 성질
- 녹는점
- 42 · 42-44 °C (lit.)
- 끓는 점
- 288 °C/100 · 288 °C/100 mmHg (lit.)
- 밀도
- 0.8734 g/cm3 · 0.8734 g/cm3 (20 ºC)
- 굴절률
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 12.5% (1 of 8) of reports.
Warning
H315 (87.5%): 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 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationElaidic acid: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryIntravenous LD50 (mouse) = 100 mg/kg; [RTECS] Stereoisomer of oleic acid; [Merck Index] May cause irritation; [Sigma-Aldrich MSDS] See Oleic acid.
Hazard Classes and CategoriesSkin Irrit. 2 (87.5%)
안전 데이터
- wgk
- 1
- rtecs
- JX6125000
- 독성
- mouse,LD50,intravenous,100mg/kg (100mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00371,
- HS 번호
- 2916.19.3000
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39
- F 고인화성물질
- 9
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Protein BindingAs with other fatty acids originating from adipose tissue stores, oleic acid may bind to serum albumin or remain unesterified in the blood.
Biological Half-LifeNo pharmacokinetic data available.
Metabolism/Metabolites
Like most fatty acids, oleic acid may undergo oxidation via beta-oxidation and tricarboxylic acid cycle pathways of catabolism, where an additional isomerization reaction is required for the complete catabolism of oleic acid. Via a series of elongation and desaturation steps, oleic acid may be converted into longer chain eicosatrienoic and nervonic acid.
Absorption, Distribution and Excretion
Fatty acid uptake by different tissues may be mediated via passive diffusion to facilitated diffusion or a combination of both. Fatty acids taken up by tissues are then stored in the form of triglycerides or oxidized. Oleic acid was shown to penetrate rat skin. Following oral administration of Brucea javanica oil emulsion in rats, the time of oleic acid to reach peak plasma concentration was approximately 15.6 hours.
Following oral administration of trace amounts of oleic acid, less than 10% of total oleic acid was found to be eliminated via fecal excretion.
Radio-labelled oleic acid was detected in the heart, liver, lung, spleen, kidney, muscle, intestine, adrenal, blood, and lymph, and adipose, mucosal, and dental tissues. Oleic acid is primarily transported via the lymphatic system.
No pharmacokinetic data available.
Tissue LocationsAdipose Tissue
Cellular LocationsCytoplasm
용도 및 제조
UsesUsed as a laboratory chemical and to make other substances; [Sigma-Aldrich MSDS]
응용 분야
관련 반응
3건
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