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Vanilla

CAS 121-33-5C8H8O3MW 152.15

Vanilla（CAS 121-33-5）：分子式 C8H8O3、分子量 152.15。

规格参数

CAS号121-33-5
分子式C8H8O3
分子量152.15
熔点178 to 181 °F (NTP, 1992)
沸点545 °F at 760 mmHg (NTP, 1992)
LogP1.2
应用领域食用香料与营养素、香精香料、Masking

用途与场景

登记用途：食用香料与营养素、香精香料、Masking。

采购档案

这个产品是什么

Vanilla 是一种化工化合物，登记 CAS 号为 121-33-5，分子式 C8H8O3（分子量 152.15）。

识别信息

登记 CAS 号：121-33-5

其分子式 C8H8O3 由 8 个碳、8 个氢、3 个氧 组成。

别名/同义词：Vanilla · Vanillin · 4-Hydroxy-3-methoxybenzaldehyde

常见问题

Vanilla 的 CAS 号是多少？

Vanilla 的 CAS 登记号为 121-33-5。

Vanilla 的分子式与分子量是多少？

分子式 C8H8O3，分子量 152.15。

Vanilla 还有哪些别名？

别名/同义词：Vanilla、Vanillin、4-Hydroxy-3-methoxybenzaldehyde。

Vanilla 的登记用途是什么？

登记用途：食用香料与营养素、香精香料、Masking。

PubChem 公开数据

Vanilla（CAS 121-33-5）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 summary1.8% (42 / 2387)
Reported hazard statementsH317 (14.3%), H319 (83.5%), H302 (100%), H411 (100%), H320, H402, H412

This chemical does not meet GHS hazard criteria for 1.8% (42 of 2387) of reports.

H317 (14.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]

法规与备案状态

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: COLOR OR COLORING ADJUNCT, FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Vanilla
Scientific procedures
GHS notification summary1.8% (42 / 2387)

物理形态与操作说明

  • Vanillin appears as white or very slightly yellow needles.
  • Liquid; Other Solid; Dry Powder; CBI; Large Crystals
  • White or off-white solid with a pleasant odor of vanilla; [Merck Index] Light yellow solid; [Sigma-Aldrich MSDS]
  • Solid
  • WHITE-TO-YELLOW CRYSTALLINE POWDER WITH CHARACTERISTIC ODOUR.
  • white or slightly yellow needles or crystalline powder with a sweet, creamy, vanilla odour

公开数据库收录的理化数据

沸点545 °F at 760 mmHg (NTP, 1992)
沸点285 °C
沸点285.00 to 286.00 °C. @ 760.00 mm Hg
熔点178 to 181 °F (NTP, 1992)
熔点81-83 °C
熔点81.5 °C
闪点153 °C (307 °F) - closed cup
闪点153 °C c.c.
溶解度In water, 1.102X10+4 mg/L at 25 °C
溶解度11 mg/mL at 25 °C

这个物质在各数据库里的编号

CAS Registry Number121-33-5
PubChem CID1183
分子式C8H8O3
IUPAC 名称4-hydroxy-3-methoxybenzaldehyde
UNII（FDA）CHI530446X
FEMA 编号3107
JECFA 编号889

数据库记载的用途

  • Found in foods and plants; Used as a flavoring agent and fragrance; [Merck Index] Used as a chemical intermediate, fuel additive, odor agent, and anti-UV agent; [IUCLID] In the group of essential oils with active product registrations in the US for uses as insect feeding depressants, insecticides, and repellants; Used to control clothes moths and fleas; [EPA REDs] Used in attractants for the control of flies, roaches, and crickets; [HSDB]
  • Pharmaceutic aid (flavor). As a flavoring agent in confectionery, beverages, foods and animal feeds. Fragrance and flavor in cosmetics. Reagent for synthesis.
  • The single largest use for vanillin is as a starting material for the manufacture of an antihypertensive drug having the chemical name of methyldopa or L-3-(3,4-dihydroxyphenyl)-2-methylalanine.
  • For more Uses (Complete) data for VANILLIN (8 total), please visit the HSDB record page.
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

它在各数据库里的别名

vanillin; 4-Hydroxy-3-methoxybenzaldehyde; 121-33-5; Vanillic aldehyde; Vanillaldehyde; p-Vanillin; Vanilline; Lioxin; 3-Methoxy-4-hydroxybenzaldehyde; 4-Hydroxy-3-methoxy-benzaldehyde; Benzaldehyde, 4-hydroxy-3-methoxy-; 4-Hydroxy-m-anisaldehyde; 2-Methoxy-4-formylphenol; Zimco; p-Hydroxy-m-methoxybenzaldehyde; 4-Formyl-2-methoxyphenol

计算机算出的分子描述符

分子量152.15
XLogP31.2
氢键供体数1
氢键受体数3
可旋转键数2
精确质量152.047344113
单同位素质量152.047344113
拓扑极性表面积46.5
重原子数11
形式电荷0

数据库摘要

4-Hydroxy-3-methoxybenzaldehyde · CAS 121-33-5 · C8H8O3. UNII CHI530446X. 沸点: 545 °F at 760 mmHg (NTP, 1992); 沸点: 285 °C; 沸点: 285.00 to 286.00 °C. @ 760.00 mm Hg.

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

获取 Vanilla 报价

供应商：济南圣和化工有限公司 · 一个工作日内回复。

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