Benzaldehyde, 2-hydroxy-5-methyl- (HCID 69184)

이름 및 식별자

우선 이름: Benzaldehyde, 2-hydroxy-5-methyl-
IUPAC: 2-hydroxy-5-methylbenzaldehyde
영어명: 5-Methylsalicylaldehyde
분자식: C8H8O2
분자량: 136.15

이름 및 동의어

2-Hydroxy-5-methylbenzaldehyde613-84-35-MethylsalicylaldehydeBenzaldehyde, 2-hydroxy-5-methyl-5-Methylsalicylic aldehydeNSC 97517EINECS 210-357-6DTXSID7060625RefChem:117105DTXCID0043006210-357-6ILEIUTCVWLYZOM-UHFFFAOYSA-N

이름 더 보기

2-hydroxy-5-methyl-benzaldehydASISCHEM D292462-Formyl-4-methylphenol5-Methylsalicylaldehyde>5-METHYLSALICYLALDEHYDE 97+%5-Methyl-2-hydroxybenzaldehyde

InChI=1/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H2,5-Cresotaldehyde2-Hydroxy-5-Methyl-BenzaldehydeMFCD00274297PZU8U5VYK2NSC-97517NSC975175methylsalicylaldehyde

데이터베이스 식별자

CAS: 613-84-3
PubChem CID: 69184
DTXSID: DTXSID7060625
UNII: PZU8U5VYK2
EC Number: 210-357-6
Nikkaji: J94.920E

물성

구조 계산 물성

XLogP: 1.7
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 122

실험 및 물리화학적 성질

Kovats Retention Index · 2건

1402

1750

물리화학적 성질

녹는점: 54 · 54-57 °C(lit.)
끓는 점: 217 °C · 217 °C(lit.)
밀도: 1.0913 · 1.0913
굴절률: 1.547 · 1.5470 (estimate)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 메탄올에 용해됨
산도 계수 (pKa): 8.47 · 8.47±0.18(Predicted)
물리적 상태: 결정성 분말
색상: 연한 노란색에서 노란색까지
BRN: 2040673 · 2040673
InChI: 1S/C8H8O2/c1-6-2-3-8(10)7(4-6)5-9/h2-5,10H,1H3
InChIKey: ILEIUTCVWLYZOM-UHFFFAOYSA-N
SMILES: Cc1ccc(O)c(C=O)c1
NIST: 2 · 2-Hydroxy-5-methylbenzaldehyde(613-84-3)
EPA: 2 · Benzaldehyde, 2-hydroxy-5-methyl- (613-84-3)

화학적 성질

Pale yellow to yellow crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.7%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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 Information · 2건

Chemical: Benzaldehyde, 2-hydroxy-5-methyl-

Benzaldehyde, 2-hydroxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.7%)

규제 정보

Regulatory Information · 2건

Chemical: Benzaldehyde, 2-hydroxy-5-methyl-

Benzaldehyde, 2-hydroxy-5-methyl-: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29124990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
위험 참고 사항: Irritant
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzaldehyde, 2-hydroxy-5-methyl-: ACTIVE

응용 분야

용도2-Hydroxy-5-methylbenzaldehyde is used in preparation of novel 2-Phenylcyclopropanamine derivatives as Lysine-specific Demethylase 1 inhibitors (LSD1-inhibitors) for prevention or treatment of primary brain tumor.

상·하류 제품 정보

하류 제품

공급사50 곳

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

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

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

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

연결된 노트

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Benzaldehyde, 2-hydroxy-5-methyl-

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