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3,4-(Methylenedioxy)benzyl alcohol

CAS 495-76-1C8H8O3MW 152.15

3,4-(Methylenedioxy)benzyl alcohol(CAS 495-76-1):分子式 C8H8O3、分子量 152.15;类别 有机化学品。

规格参数

CAS号495-76-1
分子式C8H8O3
分子量152.15
熔点58 °C
沸点BP: 157 °C at 16 mm Hg
LogPlog Kow = 1.05
类别Organic Chemicals

采购档案

这个产品是什么

3,4-(Methylenedioxy)benzyl alcohol 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 495-76-1,分子式 C8H8O3(分子量 152.15),归属于有机化学品大类化工原料。

识别信息

登记 CAS 号:495-76-1

其分子式 C8H8O3 由 8 个碳、8 个氢、3 个氧 组成。

别名/同义词:3,4-(Methylenedioxy)benzyl alcohol · Piperonyl alcohol

所属分类:有机化学品

常见问题

3,4-(Methylenedioxy)benzyl alcohol 的 CAS 号是多少?

3,4-(Methylenedioxy)benzyl alcohol 的 CAS 登记号为 495-76-1。

3,4-(Methylenedioxy)benzyl alcohol 的分子式与分子量是多少?

分子式 C8H8O3,分子量 152.15。

3,4-(Methylenedioxy)benzyl alcohol 还有哪些别名?

别名/同义词:3,4-(Methylenedioxy)benzyl alcohol、Piperonyl alcohol。

3,4-(Methylenedioxy)benzyl alcohol 属于哪个分类?

所属分类:Organic Chemicals。

PubChem 公开数据

3,4-(Methylenedioxy)benzyl alcohol(CAS 495-76-1)的公开数据库记录,列此仅供独立核对。

危险化学品分类与危害说明

GHS notification summary97.8% (91 / 93)

This chemical does not meet GHS hazard criteria for 97.8% (91 of 93) of all reports.

Reported as not meeting GHS hazard criteria by 91 of 93 companies (only 2.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

法规与备案状态

Regulatory & Food ContactEU Flavoring substances
Flavoring Agents
GHS notification summary97.8% (91 / 93)

物理形态与操作说明

  • Yellow powder; [Alfa Aesar MSDS]
  • Needles from petroleum ether
  • White to yellow powder, crystals or chunks
  • Slightly soluble in water
  • Soluble in ethanol, ethyl ether, benzene, chloroform, methanol; insoluble in ligroin
  • Stable under recommended storage conditions.

公开数据库收录的理化数据

沸点BP: 157 °C at 16 mm Hg
熔点58 °C
蒸气压0.000254 [mmHg]
LogPlog Kow = 1.05
LogP1.05

这个物质在各数据库里的编号

CAS Registry Number495-76-1
PubChem CID10322
分子式C8H8O3
IUPAC 名称1,3-benzodioxol-5-ylmethanol
UNII(FDA)4163K563GS

数据库记载的用途

  • The results indicate that two benzodioxole derivatives, piperonyl alcohol (PAL) and benzodioxole (BDO), are viable alternatives to conventional amines as coinitiator. The biocompatibility of benzodioxole derivatives makes them more promising than amine in dental resin formulations.
  • 1,3-Benzodioxole-5-methanol: ACTIVE
  • After oral administration of piperine (170 mg/kg) to rats, the metabolites in bile and urine were examined by thin-layer chromatography, high-performance liquid chromatography and combined gas chromatography-mass spectrometry. Four metabolites of piperine, viz. piperonylic acid, piperonyl alcohol, piperonal and vanillic acid were identified in the free form in 0-96 hr urine whereas only piperic acid was detected in 0-6 hr bile. ...
  • The neolignan, burchellin, a natural compound that reduces urine excretion in larvae of the bloodsucking bug, Rhodnius prolixus, a vector of Chagas' disease, is rapidly degraded in the hemolymph of the insect. The main product that accumulates in this tissue has been shown to be piperonyl alcohol. Other catabolites have been identified by GC-MS analysis.

它在各数据库里的别名

Piperonyl alcohol; 495-76-1; Piperonol; 1,3-BENZODIOXOLE-5-METHANOL; 3,4-Methylenedioxybenzyl alcohol; 5-Hydroxymethyl-1,3-benzodioxole; Heliotropyl alcohol; 1-Hydroxymethyl-3,4-methylenedioxybenzene; Benzyl alcohol, 3,4-(methylenedioxy)-; DTXSID3060089; NSC-26265; 4163K563GS; RefChem:863613; DTXCID3040693; 207-808-4; 1,3-Benzodioxol-5-ylmethanol

计算机算出的分子描述符

分子量152.15
XLogP31.1
氢键供体数1
氢键受体数3
可旋转键数1
精确质量152.047344113
单同位素质量152.047344113
拓扑极性表面积38.7
重原子数11
形式电荷0

数据库摘要

3,4-(Methylenedioxy)benzyl alcohol · CAS 495-76-1 · C8H8O3. UNII 4163K563GS. 沸点: BP: 157 °C at 16 mm Hg; 熔点: 58 °C; 蒸气压: 0.000254 [mmHg].

数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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