3,5-ジメトキシフェノール

3,5-Dimethoxyphenol

HCID 10383
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基本情報

CAS
500-99-2
標準SMILES
COc1cc(O)cc(OC)c1
InChIKey
XQDNFAMOIPNVES-UHFFFAOYSA-N
分子式
C8H10O3
平均分子量
154.16 g/mol
単同位体質量
154.06299418

名称と識別子

優先名称
3,5-Dimethoxyphenol
IUPAC
3,5-dimethoxyphenol
現地名
3,5-ジメトキシフェノール
英語名
3,5-Dimethoxyphenol
分子式
C8H10O3
分子量
154.16

名称と別名

3,5-Dimethoxyphenol500-99-2Phenol, 3,5-dimethoxy-TaxicatigeninPhloroglucinol dimethyl ether1-Hydroxy-3,5-dimethoxybenzene23UXW8136ANSC-70955DTXSID7075426phloroglucindimethyletherRefChem:4869021,3-dimethoxy-5-hydroxybenzene
名称をさらに表示
3,5-ジメトキシフェノールフロログルシンジメチルエーテルフロログルシノールジメチルエーテルタキシカチゲニン3,5-ジメトキシフェノ-ル3,5‐ジメトキシフェノールNSC 709553,5-Dimethoxyphenol>3,5-DiMethoxyphenol 99%3,5-Dimethoxyphenol,97%DIMETHOXYPHENOL, 3,5-(P)Phloroglucinol Impurity 24Phloroglucin dimethyl ether
DTXCID3040772207-917-73,5-dimethoxy phenolMFCD00008388UNII-23UXW8136APhenol,5-dimethoxy-3,5-dimethoxy-phenols6071

データベース識別子

CAS
500-99-2
PubChem CID
10383
DTXSID
DTXSID7075426
ChEMBL
CHEMBL462989
ChEBI
CHEBI:88715
UNII
23UXW8136A
EC Number
207-917-7
Nikkaji
J107.380J

物性

構造計算による物性

XLogP
1.6
極性表面積
38.7 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
11

実験および物理化学的性質

Kovats Retention Index · 3 件

1531

1472

2848；2858

Collision Cross Section125.4 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
40 · 40-43 °C (lit.)
沸点
172 · 172-175 °C/17 mmHg (lit.)
比重(密度)
1.169 · 1.1690 (rough estimate)
屈折率
1.4745 · 1.4745 (estimate)
闪点
173 °F · 173 °F
貯蔵温度
Inert atmosphere,Room Temperature

化学的性質

化学的特性slightly pink to yellow crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (99.4%): 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 162 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.

危険有害性情報

Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (99.4%)

法規制情報

Regulatory InformationPhenol, 3,5-dimethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

F
10
wgk
3
hs_code
29095090
risk_code
36/37/38
hazard_code
Xi
hazard_note
Irritant

化学と産業

応用分野

使用3,5-Dimethoxyphenol is a phenol derivative as antinitrosating agent.

調製方法

純化方法Purify the phenol by distillation followed by sublimation in a vacuum. [Beilstein 6 IV 7362.]

上流・下流製品情報

サプライヤー100 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

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