기본 정보
- CAS
22080-96-2- 표준 SMILES
COc1cc(O)cc(OC)c1C=O- InChIKey
HZWPJAZIRZFCGX-UHFFFAOYSA-N- 분자식
- C9H10O4
- 평균 분자량
- 182.17 g/mol
- 단동위원소 질량
- 182.0579088
개요
4-Hydroxy-2,6-dimethoxybenzaldehyde has been reported in Gymnadenia conopsea with data available.
이름 및 식별자
- 우선 이름
- 2,6-Dimethoxy-4-hydroxybenzaldehyde
- IUPAC
- 4-hydroxy-2,6-dimethoxybenzaldehyde
- 현지명
- 4-히드록시-2,6-디메톡시벤즈알데히드
- 영어명
- 4-Hydroxy-2,6-dimethoxybenzaldehyde
- 분자식
- C9H10O4
- 분자량
- 182.17
이름 및 동의어
2,6-Dimethoxy-4-hydroxybenzaldehydeRefChem:445616624-897-94-Hydroxy-2,6-dimethoxybenzaldehyde22080-96-24-hydroxy-2,6-dimethoxy-benzaldehydeMFCD01407645Benzaldehyde, 4-hydroxy-2,6-dimethoxy-4-FORMYL-3,5-DIMETHOXYPHENOLSCHEMBL2833543,5-DIMETHOXY-4-FORMYL-PHENOLAC-4471
이름 더 보기
4-히드록시-2,6-디메톡시벤즈알데히드VHR DQ BO1 FO1TIMTEC-BB SBB0086404-Hydroxy-2,6-dimethoxybenzaldehyde>3,5-Dimethoxy-4-formyl-phenol≥ 98% (HPLC)
PS-3331SY0300462,6-Dimethoxy-4-hydroxybenzaldehyde, 95%Ethanal, 2-(4-hydroxy-2,6-dimethoxyphenyl)10.14272/HZWPJAZIRZFCGX-UHFFFAOYSA-N.1BCP18466AM83003A815905
데이터베이스 식별자
- CAS
22080-96-2- PubChem CID
- 529894
- DTXSID
DTXSID10336201- EC Number
- 624-897-9
- Nikkaji
- J329.912K
물성
구조 계산 물성
- XLogP
- 0
- 극성 표면적
- 55.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 157
물리화학적 성질
- 녹는점
- 225 °C · 225 °C (dec.)(lit.)
- 끓는 점
- 370.4 · 370.4±37.0 °C(Predicted)
- 밀도
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- 메탄올에 용해됨
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 7.04 · 7.04±0.23(Predicted)
- 색상
- Light yellow to Yellow to Orange
- InChI
- InChI=1S/C9H10O4/c1-12-8-3-6(11)4-9(13-2)7(8)5-10/h3-5,11H,1-2H3
- InChIKey
- HZWPJAZIRZFCGX-UHFFFAOYSA-N
- SMILES
- C(=O)C1=C(OC)C=C(O)C=C1OC
화학적 성질
light yellow powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (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 158 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- wgk
- 3
- HS 번호
- 29125000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- 위험 참고 사항
- Irritant/Keep Cold
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도2,6-Dimethoxy-4-hydroxybenzaldehyde (4-hydroxy-2,6-dimethoxybenzaldehyde) may be used as a test compound to investigate the bactericidal activity of benzaldehydes against Campylobacter jejuni, Escherichia coli, Listeria monocytogenes and Salmonella enterica.
일반 설명2,6-Dimethoxy-4-hydroxybenzaldehyde (4-hydroxy-2,6-dimethoxybenzaldehyde) is a p-hydroxybenzaldehyde derivative. Its synthesis by Vielsmeyer-Haack reaction and confirmation of the product formation by 1H NMR has been reported. Its structure has been investigated. The sodium salt of 4-hydroxy-2,6-dimethoxybenzaldehyde may be used to derivatize Merrifield resin to form resin-bound aldehyde.
상·하류 제품 정보
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하류 제품
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