顺芷酸;惕格酸

Description

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. Boiling Point: 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg; Boiling Point: 95.00 to 96.00 °C. @ 12.00 mm Hg; Melting Point: 62.5-64 °C.

Identification

CAS Registry Number	80-59-1
PubChem CID	125468
Molecular formula	C5H8O2
Molecular weight	100.05 g/mol
IUPAC name	(E)-2-methylbut-2-enoic acid
InChIKey	UIERETOOQGIECD-ONEGZZNKSA-N
UNII (FDA)	I5792N03HC
ChEBI ID	CHEBI:9592
FEMA number	3599
JECFA number	1205

Computed Descriptors

Molecular Weight	100.12
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	100.052429494
Monoisotopic Mass	100.052429494
Topological Polar Surface Area	37.3
Heavy Atom Count	7
Formal Charge	0

Physical & Chemical Properties

Boiling Point	198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg
Boiling Point	95.00 to 96.00 °C. @ 12.00 mm Hg
Melting Point	62.5-64 °C
Melting Point	61 - 65 °C
Solubility	1 mg/mL
Density	0.972
Density	Density: 0.9641 g/cu cm at 76 °C
Vapor Pressure	1.33X10-1 mm Hg at 25 °C
Dissociation Constants	pKa = 4.96 at 18 °C
Dissociation Constants	pk = 5.02 at 25 °C

Physical description & 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

Regulatory Status

Regulatory & Food Contact	EU 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

GHS Hazard Classification

Reported hazard statements	H315 (97.1%), H319 (97.2%)

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

Synonyms

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

Frequently Asked Questions

What are the CAS number and molecular formula of TIGLIC ACID?

CAS 80-59-1; molecular formula C5H8O2; molecular weight 100.05 g/mol.

What other names is TIGLIC ACID known by?

TIGLIC ACID, 80-59-1, (E)-2-Methylbut-2-enoic acid, Tiglinic acid, trans-2,3-Dimethylacrylic acid, trans-2-Methyl-2-butenoic acid.

What is the regulatory status of TIGLIC ACID?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is TIGLIC ACID classified as hazardous?

Hazard statements reported: H315, H319.

What are the key physical properties of TIGLIC ACID?

Boiling Point: 198.5 °C at 760 mm Hg, 95.0-96 °C at 11.5 mm Hg; Boiling Point: 95.00 to 96.00 °C. @ 12.00 mm Hg; Melting Point: 62.5-64 °C; Melting Point: 61 - 65 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.