3,4-Dihydroxy-5-methoxybenzaldehyde

3,4-DIHYDROXY-5-METHOXYBENZALDEHYDE · 3,4-dihydroxy-5-methoxy benzyaldehyde · 5-hydroxyvanillin · AKOS BBS-00007007 · 5-Hydroxyvanilline · 5-Methoxyprotocatechualdehyde · 5-methoxy-protocatechualdehyd · Protocatechualdehyde, 5-methoxy-

https://huagongshe.com/ko/chemical/77535

3,4-Dihydroxy-5-methoxybenzaldehyde 분자 구조식

식별자 및 물리적 특성

CAS No.	3934-87-0
분자식	C8H8O4
평균 분자량	168.15 g/mol
단동위원소 질량	168.04225873 g/mol
SMILES	COc1cc(C=O)cc(O)c1O
InChIKey	RRKMWVISRMWBAL-UHFFFAOYSA-N
PubChem CID	77535
ChEMBL	CHEMBL1982490
EC No.	223-513-3
DTXSID	DTXSID30192563

화학 및 물리적 성질

XLogP	-0.3
극성 표면적	66.8
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	2
무거운 원자 수	12
형식 전하	0
복잡도	159
Endocrine Disruptors	Potential endocrine disrupting compound
녹는점	131-134°C
끓는 점	339.9±37.0 °C(Predicted)
밀도	1.378±0.06 g/cm3(Predicted)
저장 조건	under inert gas (nitrogen or Argon) at 2-8°C
pKa(산도 계수)	7.63±0.23(Predicted)
물리적 상태	고체
색상	Light grey/ brown
화장품 원료 기능	머리 염색
InChI	InChI=1S/C8H8O4/c1-12-7-3-5(4-9)2-6(10)8(7)11/h2-4,10-11H,1H3
InChIKey	RRKMWVISRMWBAL-UHFFFAOYSA-N
SMILES	C(=O)C1=CC(OC)=C(O)C(O)=C1
LogP(분배 계수)	1.050 (est)
NIST	3,4-Dihydroxy-5-methoxybenzaldehyde(3934-87-0)

안전 및 규제

GHS 분류	WarningH315 (100%): 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 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
수질 위해 등급(WGK)	3
RTECS 번호	CU5620000
관세 코드	2912490090
위험 문구(R)	36/37/38
위험 표시	Xi
안전 문구(S)	26-36
위험 등급	Eye Irrit. 2Skin Irrit. 2STOT SE 3
저장 분류	11 - Combustible Solids

용도

3,4-Dihydroxy-5-methoxybenzaldehyde may be used for the preparation of 3,4-dihydroxy-6-methoxy-β-nitrostyrene and 5-hydroxyconiferyl alcohol.

일반 설명

3,4-Dihydroxy-5-methoxybenzaldehyde can be obtained by reactting 5-iodovaniliin with sodium hydroxide and copper sulfate solution.