옥타코산산

Octacosanoic acid

HCID 10470CAS 506-48-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChIKey: UTOPWMOLSKOLTQ-UHFFFAOYSA-N
분자식: C28H56O2
평균 분자량: 424.7 g/mol
단동위원소 질량: 424.42803102

이름 및 식별자

우선 이름: Octacosanoic acid
IUPAC: octacosanoic acid
현지명: 옥타코산산
영어명: OCTACOSANOIC ACID
분자식: C28H56O2
분자량: 424.74

이름 및 동의어

OCTACOSANOIC ACID506-48-9Montanic acidn-octacosanoic acid4BKL1A0KJYNSC-407311DTXSID2075051CHEBI:31001RefChem:167558DTXCID7040863208-041-8octacosoic acid

이름 더 보기

옥타코산산HW-SWLicowax SNsc407311Licowax SFLmontanicaciOctacosansureOctacosanoic aCARBOXYLIC ACID C28

MFCD00002812n-octacosanoateFA 28:0octacosanoicacidC28:0UNII-4BKL1A0KJYoctacosoateOctacosansaeure

데이터베이스 식별자

CAS: 506-48-9
PubChem CID: 10470
DTXSID: DTXSID2075051
ChEMBL: CHEMBL2261064
ChEBI: CHEBI:31001
UNII: 4BKL1A0KJY
EC Number: 208-041-8
Nikkaji: J11.820F

물성

구조 계산 물성

XLogP: 12.9
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 26
무거운 원자 수: 30
형식 전하: 0
복잡도: 327

실험 및 물리화학적 성질

Melting Point90.9 °C

Physical Description · 2건

White flakes; [Sigma-Aldrich MSDS]

Solid

물리화학적 성질

녹는점: 91 · 91-93 °C(lit.)
끓는 점: 466.99 °C · 466.99°C (rough estimate)
밀도: 0.8887 · 0.8887 (rough estimate)
굴절률: 1.4772 · 1.4772 (estimate)
저장 조건: 2 · 2-8°C
용해도: 50 mg/mL, · 클로로포름: 용해성50mg/mL, 투명, 무색
물리적 상태: 액체
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
색상: 흰색에서 거의 흰색
BRN: 1801616 · 1801616
InChI: InChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChIKey: UTOPWMOLSKOLTQ-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
EPA: Octacosanoic acid (506-48-9)

화학적 성질

white fine crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.

Warning

H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 3 reports by companies.；There is 1 notification provided by 1 of 3 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationOctacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryNot considered hazardous by GHS classification; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (33.3%)

규제 정보

Regulatory InformationOctacosanoic acid: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: -
HS 번호: 2915.90.1800
기존화학 물질: KE-26278
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Tissue LocationsFibroblasts

Cellular LocationsExtracellular；Membrane

Metabolite PathwaysAcylcarnitine Octacosanoylcarnitine

응용 분야

용도Octacosanoic Acid (cas# 506-48-9) is a useful lubricant compound for preparing flame-retardant and antibacterial sound-insulating tape.

일반 설명Octacosanoic acid is one of the components of the fruit of Hippophae rhamnoides. It is also present in the aerial part of Curcuma wenyujin.

상·하류 제품 정보

상류 원료

하류 제품

METHYL OCTACOSANOATE

공급사50 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

山东旭晨化工科技有限公司0533-15715337262 15715337262 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

추가 설명

정의ChEBI: A C28, very long straight-chain, saturated fatty acid.

연결된 노트

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