Natural Tiglic Acid

Product Name:

Natural Tiglic acid

CAS:

80-59-1

MF:

C5H8O2

MW:

100.12

EINECS:

201-295-0

Product Categories:

Aromatic Cinnamic Acids, Esters and Derivatives

Mol File:

80-59-1.mol

Melting point 

61-64 °C(lit.)

Boiling point 

95-96 °C12 mm Hg(lit.)

density 

0.969 g/mL at 25 °C(lit.)

FEMA 

3599 | 2-METHYL-TRANS-2-BUTENOIC ACID

refractive index 

nD81 1.4342

Fp 

101°C

storage temp. 

Refrigerator (+4°C)

form 

Crystalline Powder and Chunks

pka

pK (25°) 5.02

Specific Gravity

0.969

color 

White to beige

Water Solubility 

SOLUBLE IN HOT WATER

JECFA Number

1205

Merck 

14,9433

BRN 

1236500

InChIKey

UIERETOOQGIECD-ONEGZZNKSA-N

CAS DataBase Reference

80-59-1(CAS DataBase Reference)

NIST Chemistry Reference

2-Butenoic acid, 2-methyl-, (E)-(80-59-1)

EPA Substance Registry System

2-Butenoic acid, 2-methyl-, (2E)- (80-59-1)

Hazard Codes 

C,Xi

Risk Statements 

34-36/37/38

Safety Statements 

26-36/37/39-45-24/25-27

RIDADR 

UN 3261 8/PG 2

WGK Germany 

2

RTECS 

GQ5430000

TSCA 

Yes

HazardClass 

8

PackingGroup 

III

HS Code 

29161980

Hazardous Substances Data

80-59-1(Hazardous Substances Data)

Chemical Properties

trans-2-Methyl-2-butenoic acid has a sweet, warm, spicy odor.

Chemical Properties

WHITE TO BEIGE CRYSTALLINE POWDER AND CHUNKS

Occurrence

Reported found in celery leaves and stalk, cocoa, mango, dried bonito and Roman chamomile oil

Uses

Tiglic acid is the stable isomer of angelic acid. Tiglic acid was found as glyceride in croton oil, as butyl ester in the oil of the Roman camomile, and as geranyl tiglate in oil of geranium. Tiglic a cid is formed during the charcoaling of maple wood.

Air & Water Reactions

Slightly soluble in water.

Chemical Synthesis

Synthesized from 2-hydroxy-2-methylbutyronitrile

Purification Methods

Crystallise it from water. It is steam volatile and is soluble in organic solvents. [Beilstein 2 IV 1552.]