Anteisoheptadecanoic acid

HCID 22207CAS 5746-59-8

기본 정보

표준 SMILES: CCC(C)CCCCCCCCCCCCC(=O)O
InChIKey: FXUKWLSZZHVEJD-UHFFFAOYSA-N
분자식: C17H34O2
평균 분자량: 270.5 g/mol
단동위원소 질량: 270.25588032

이름 및 식별자

우선 이름: Anteisoheptadecanoic acid
IUPAC: 14-methylhexadecanoic acid
영어명: 14-Methylhexadecanoic acid
분자식: C17H34O2
분자량: 270.45

이름 및 동의어

14-METHYLHEXADECANOIC ACID5918-29-6Anteisoheptadecanoic acid14-Methylpalmitic acid14-methyl-hexadecanoic acidCHEBI:84874DTXSID60974612RefChem:915945DTXCID701402036637-371-9Hexadecanoic acid, 14-methyl-(+)-14-methyl palmitic acid

이름 더 보기

ANTEISO C17 ACID14-methyl Palmitic AcidANTEISO-HEPTADECANOIC ACID14-Methylhexadecanoic acid, anteiso C17 Fatty acid

14-METHYLHEXADECANOICACIDSCHEMBL347119orb2944095SCHEMBL8813300LMFA01020011MFCD00214328TCL-00066PD078020

데이터베이스 식별자

CAS: 5746-59-8、5918-29-6
PubChem CID: 22207
DTXSID: DTXSID60974612
ChEBI: CHEBI:84874
EC Number: 637-371-9
Nikkaji: J426.815F

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 14
무거운 원자 수: 19
형식 전하: 0
복잡도: 201

실험 및 물리화학적 성질

Melting Point39.5 - 40 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 36.8 °C · 36.8 °C
끓는 점: 358.05 °C · 358.05°C (estimate)
밀도: 0.8791 · 0.8791 (rough estimate)
굴절률: 1.4405 · 1.4405 (estimate)
저장 조건: 2 · 2-8°C
용해도: Chloroform: Soluble,Ethanol: Soluble,Ether: Soluble
물리적 상태: powder
산도 계수 (pKa): 4.78 · 4.78±0.10(Predicted)
생물학적 소스: synthetic (organic)
InChI: 1S/C17H34O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)
InChIKey: FXUKWLSZZHVEJD-UHFFFAOYSA-N
SMILES: CCC(C)CCCCCCCCCCCCC(O)=O
LogP: 7.5 · 7.500 (est)

안전 및 규제

GHS 분류

GHS Classification · 6건

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]；H319 (97.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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.；Reported as not meeting GHS hazard criteria per 1 of 40 reports by companies.；There are 2 notifications provided by 39 of 40 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

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)；Eye Irrit. 2 (97.5%)；STOT SE 3 (97.5%)

안전 데이터

wgk: 3
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsExtracellular；Membrane

응용 분야 · 1건

개요14-methyl Palmitic acid is a methylated fatty acid that has been found in bacteria, bovine milk fat, Aegean jellyfish (A. aurita), and one-humped camel (C. dromedarius) meat and fat. It is also found in human breast milk and levels are decreased in mature breast milk compared to colostrum. 14-methyl Palmitic acid is produced in Florida manatee (T. manatus latirostris) liver in response to brevetoxin exposure. [Matreya, LLC. Catalog No. 1616]

공급사16 곳

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]

宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]

Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]

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