3,4,5-Trimethoxybenzaldehyde (HCID 6858)

概要

3,4,5-trimethoxybenzaldehyde has been reported in Zanthoxylum ailanthoides, Acorus calamus, and other organisms with data available.

名称と識別子

優先名称: 3,4,5-Trimethoxybenzaldehyde
IUPAC: 3,4,5-trimethoxybenzaldehyde
現地名: 3,4,5-トリメトキシベンズアルデヒド
英語名: 3,4,5-Trimethoxybenzaldehyde
分子式: C10H12O4
分子量: 196.2

名称と別名

3,4,5-TRIMETHOXYBENZALDEHYDE86-81-7Benzaldehyde, 3,4,5-trimethoxy-WL86YD76N6NSC-16692DTXSID4058948RefChem:485764DTXCID9048514201-701-6MFCD000033643,4,5-trimethoxy-benzaldehydeNSC 16692

名称をさらに表示

3,4,5-トリメトキシベンズアルデヒド3,4,5‐トリメトキシベンズアルデヒドTMBATrimetazidine Impurity 92.3.4-TrihyroxybenzaldehydeAKOS 214-88AKOS BBS-00003169OTAVA-BB BB7018801952LABOTEST-BB LT009314533,4,5-TrimethoxybenzaL

3,4,5-trimethoxy benzaldehydeEINECS 201-701-6BRN 0395163UNII-WL86YD76N6BENZALDEHYDE,3,4,5-TRIMETHOXY-AI3-36673NSC16692Trimethoprim Intermediates

データベース識別子

CAS: 86-81-7
PubChem CID: 6858
DTXSID: DTXSID4058948
ChEMBL: CHEMBL3577781
UNII: WL86YD76N6
EC Number: 201-701-6
Nikkaji: J47.615C

物性

構造計算による物性

XLogP: 0.9
極性表面積: 44.8 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 169

実験および物理化学的性質

Chemical ClassesOther Classes -> Benzaldehydes

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.00113 [mmHg]

Physical DescriptionLight yellow flakes; [Sigma-Aldrich MSDS]

物理化学的性質

融点: 72 · 72-74 °C (lit.)
沸点: 163 · 163-165 °C/10 mmHg (lit.)
比重(密度): 1.2166 · 1.2166 (rough estimate)
屈折率: 1.555 · 1.5550 (estimate)
闪点: 163 · 163-165°C/10mm
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 0.1 g/mL、透明 · メタノール: 0.1 g/mL、透明
外見: パウダーまたはフレーク
色: 白からクリーミー
水溶解度: わずかに溶ける
BRN: 395163 · 395163
安定性: Hygroscopic
InChI: 1S/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H3
InChIKey: OPHQOIGEOHXOGX-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cc(OC)c(OC)c(OC)c1
LogP: 1.39 · 1.390
CAS データベース: 86 · 86-81-7(CAS DataBase Reference)
NISTの化学物質情報: 3 · Benzaldehyde, 3,4,5-trimethoxy-(86-81-7)
EPAの化学物質情報: 3 · Benzaldehyde, 3,4,5-trimethoxy- (86-81-7)

化学的性質

化学的特性white to creamy powder or flakes

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 12.5% (1 of 8) of reports.

Warning

H302 (75%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 3 件

Chemical: Benzaldehyde, 3,4,5-trimethoxy-

Status: Active Update: 27-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/34975

Benzaldehyde, 3,4,5-trimethoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (75%)

安全データ

wgk: 3
tsca: TSCA listed
rtecs: CU8462000
ridadr: UN2811
hs_code: 29124900
risk_code: 36/37/38-34
化審法: (3)-2920
hazard_code: Xi,C
hazard_note: Irritant
safety_code: 22-24/25-45-36/37/39-27-26
ストレージクラス: 11 - Combustible Solids

化学と産業

用途と製造

General Manufacturing InformationBenzaldehyde, 3,4,5-trimethoxy-: ACTIVE

応用分野

用途有機合成原料。

使用3,4,5-Trimethoxybenzaldehyde (cas# 86-81-7) is a compound useful in organic synthesis.

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北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

3,4,5-Trimethoxybenzaldehyde

基本情報

概要