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Vanilla

CAS 121-33-5C8H8O3MW 152.15

Vanilla (CAS 121-33-5) — formula C8H8O3, molecular weight 152.15.

Specifications

CAS Number121-33-5
Molecular FormulaC8H8O3
Molecular Weight152.15
Melting Point178 to 181 °F (NTP, 1992)
Boiling Point545 °F at 760 mmHg (NTP, 1992)
LogP1.2
ApplicationsFlavoring and nutrient, Fragrance, Fragrance Ingredients, Masking

Where it is used

Documented applications: Flavoring and nutrient, Fragrance, Fragrance Ingredients, Masking.

Purchase Profile

What this product is

Vanilla is a chemical compound with CAS registry number 121-33-5 and molecular formula C8H8O3 (molecular weight 152.15).

Identification

CAS number: 121-33-5

Its molecular formula C8H8O3 comprises 8 C, 8 H, 3 O atoms.

Also known as: Vanilla · Vanillin · 4-Hydroxy-3-methoxybenzaldehyde

Frequently Asked Questions

What is the CAS number of Vanilla?

The CAS registry number of Vanilla is 121-33-5.

What is the molecular formula and molecular weight of Vanilla?

Molecular formula C8H8O3, molecular weight 152.15.

What other names is Vanilla known by?

It is also registered under: Vanilla, Vanillin, 4-Hydroxy-3-methoxybenzaldehyde.

What are the documented applications of Vanilla?

Recorded applications: Flavoring and nutrient, Fragrance, Fragrance Ingredients, Masking.

PubChem Public Data

Public-database records for Vanilla (CAS 121-33-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

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]

Regulatory listings

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)

Physical description and handling notes

  • 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

Reported physical properties

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

How this substance is indexed

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

Documented uses

  • 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

Names this substance appears under

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

Computed molecular descriptors

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

Database abstract

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.

Source: PubChem / Wikidata; the batch COA governs where values differ.

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