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TIGLIC ACID

CAS 80-59-1C5H8O2MW 100.05 g/mol

TIGLIC ACID (CAS 80-59-1) — formula C5H8O2, molecular weight 100.05 g/mol; category organic chemicals.

Specifications

CAS Number80-59-1
Molecular FormulaC5H8O2
Molecular Weight100.05 g/mol
Melting Point62.5-64 °C
Boiling Point198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg
LogP1
ApplicationsFragrance Ingredients
CategoryOrganic Chemicals

Where it is used

Documented applications: Fragrance Ingredients.

Purchase Profile

What this product is

TIGLIC ACID is a carbon-based organic compound with CAS registry number 80-59-1 and molecular formula C5H8O2 (molecular weight 100.05 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 80-59-1

Its molecular formula C5H8O2 comprises 5 C, 8 H, 2 O atoms.

Also known as: TIGLIC ACID · trans-2,3-Dimethylacrylic acid

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of TIGLIC ACID?

The CAS registry number of TIGLIC ACID is 80-59-1.

What is the molecular formula and molecular weight of TIGLIC ACID?

Molecular formula C5H8O2, molecular weight 100.05 g/mol.

What other names is TIGLIC ACID known by?

It is also registered under: TIGLIC ACID, trans-2,3-Dimethylacrylic acid.

What are the documented applications of TIGLIC ACID?

Recorded applications: Fragrance Ingredients.

Which category does TIGLIC ACID belong to?

Category: Organic Chemicals.

PubChem Public Data

Public-database records for TIGLIC ACID (CAS 80-59-1), reproduced here for independent cross-checking.

Safety classification and hazard statements

Reported hazard statementsH315 (97.1%), H319 (97.2%)

H315 (97.1%): Causes skin irritation [Warning Skin corrosion/irritation]

H319 (97.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Regulatory listings

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Savory
No safety concern at current levels of intake when used as a flavouring agent

Physical description and handling notes

  • Tiglic acid, [corrosive solid] appears as a white lustrous flaked solid with a fruity or spicy odor. About the same density as water and slightly soluble in water. May burn if heated to high temperatures. May severely irritate skin, eyes, lungs or mucous membranes.
  • Solid
  • White crystalline solid; sweet, warm, spicy aroma
  • Triclinic plates, rods from water
  • Thick, syrupy liquid or colorless crystals
  • Tablets

Reported physical properties

沸点198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg
沸点95.00 to 96.00 °C. @ 12.00 mm Hg
熔点62.5-64 °C
熔点61 - 65 °C
溶解度1 mg/mL
密度0.972
密度密度: 0.9641 g/cu cm at 76 °C
蒸气压1.33X10-1 mm Hg at 25 °C
Dissociation ConstantspKa = 4.96 at 18 °C
Dissociation Constantspk = 5.02 at 25 °C

How this substance is indexed

CAS Registry Number80-59-1
PubChem CID125468
分子式C5H8O2
分子量100.05 g/mol
IUPAC 名称(E)-2-methylbut-2-enoic acid
InChIKeyUIERETOOQGIECD-ONEGZZNKSA-N
UNII(FDA)I5792N03HC
ChEBI 编号CHEBI:9592
FEMA 编号3599
JECFA 编号1205

Documented uses

  • The esters in perfumes and flavoring agents. The free acid as a breaker of emulsions.
  • Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994)
  • Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#7312]
  • Perfumes, flavors, emulsion breakers.
  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index

Names this substance appears under

TIGLIC ACID; 80-59-1; (E)-2-Methylbut-2-enoic acid; Tiglinic acid; trans-2,3-Dimethylacrylic acid; trans-2-Methyl-2-butenoic acid; trans-2-Methylcrotonic acid; (E)-2,3-Dimethylacrylic acid; (E)-2-Methyl-2-butenoic acid; (E)-2-Methylcrotonic acid; 2-Butenoic acid, 2-methyl-, (2E)-; Crotonic acid, 2-methyl-, (E)-; 2-Butenoic acid, 2-methyl-, (E)-; 2,3-Dimethylacrylic acid, (E)-; FEMA No. 3599; trans-alpha,beta-Dimethylacrylic acid

Computed molecular descriptors

分子量100.12
XLogP31
氢键供体数1
氢键受体数2
可旋转键数1
精确质量100.052429494
单同位素质量100.052429494
拓扑极性表面积37.3
重原子数7
形式电荷0

Database abstract

TIGLIC ACID is identified by CAS 80-59-1, molecular formula C5H8O2 and molecular weight 100.05 g/mol. UNII I5792N03HC; ChEBI 9592; InChIKey UIERETOOQGIECD-ONEGZZNKSA-N. 沸点: 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg; 沸点: 95.00 to 96.00 °C. @ 12.00 mm Hg; 熔点: 62.5-64 °C.

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

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