2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- (21293-29-8),2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- (21293-29-8) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)-
Superlist Name:
(+)-Abscisic acid
CAS No.:
21293-29-8
Molecular Structure:
Formula:
C₁₅H₂₀O₄
Molecular Weight:
264.32 .
Deleted CAS:
34612-56-1|22330-12-7|18463-18-8|14488-90-5|11027-12-6
Synonyms:
2,4-Pentadienoicacid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-,(Z,E)-(S)-(+)- (8CI);2,4-Pentadienoic acid,5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-;(+)-(S)-Abscisic acid;(+)-(cis,trans)-Abscisic acid;(+)-ABA;(+)-cis-Abscisic acid;(S)-(+)-ABA;(S)-(+)-Abscisicacid;(S)-ABA;ABA;ABK;Abscisic acid;Abscisicacid, (+)-;Abscisin II;Dormin (abscission factor);NSC 146877;NSC148832;PBI 58;cis,trans-Abscisic acid;cis-Abscisic acid;cis-trans-(+)-Abscisic acid;
EINECS:
244-319-5
Density:
1.193 g/cm³
Melting Point:
188 °C
Boiling Point:
458.7 °C at 760 mmHg
Flash Point:
245.4 °C
Appearance:
White powder
Safety Description:
22-24/25 Details

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Chemistry

Molecular Structure of 2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- (CAS NO.21293-29-8):

IUPAC Name: (2Z,4E)-5-[(1S)-1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
Molecular Weight: 264.3169 [g/mol]
Molecular Formula: C₁₅H₂₀O₄
XLogP3-AA: 1.6
H-Bond Donor: 2
H-Bond Acceptor: 4
EINECS: 244-319-5
Index of Refraction: 1.583
Molar Refractivity: 74.03 cm³
Molar Volume: 221.5 cm³
Surface Tension: 51.5 dyne/cm
Density: 1.193 g/cm³
Flash Point: 245.4 °C
Enthalpy of Vaporization: 82.94 kJ/mol
Boiling Point: 458.7 °C at 760 mmHg
Vapour Pressure: 2.41E-10 mmHg at 25 °C
Appearance: White Powder
Melting Point: 188 °C
refractive index: 410 ° (C=0.2, EtOH)
storage temp:. −20 °C
Classification Code: Drug / Therapeutic Agent; Growth Substances; Plant growth regulators
Product Categories: Pharmaceutical Raw Materials; Sesqui-Terpenoids; Chiral Reagents; Biochemistry; Plant Growth Regulators; Plant Growth Trgulators (Others); Plant Hormones

Uses

2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- (CAS NO.21293-29-8) is the natural isomer of the abscission-accelerating plant hormone.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mammal (species unspecified)	LD50	intraperitoneal	> 1500mg/kg (1500mg/kg)		European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 91, 1975.

Safety Profile

Safety Information of 2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- (CAS NO.21293-29-8):
Safety Statements: 22-24/25
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
RTECS: RZ2475100

Specification

2,4-Pentadienoic acid,5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-, (2Z,4E)- (CAS NO.21293-29-8), its Synonyms are (S-(Z,E))-5-(1-Hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid ; cis-trans-(+)-Abscissic acid ; Abscisic acid ; Abscisin II ; Acide abscisique ; (S)-(+)-Abscisic acid ; 2-cis,4-trans-Abscisic acid ; Dormin .