脱落酸

Description

[S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid · CAS 21293-29-8 · C15H20O4. UNII 72S9A8J5GW. Collision Cross Section: 173.8 Ų [M-H]-; Collision Cross Section: 159.5 Ų [M+H]+; Collision Cross Section: 175.1 Ų [M+Na]+.

Identification

CAS Registry Number	21293-29-8
PubChem CID	5280896
Molecular formula	C15H20O4
IUPAC name	(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
UNII (FDA)	72S9A8J5GW

Computed Descriptors

Molecular Weight	264.32
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	264.13615911
Monoisotopic Mass	264.13615911
Topological Polar Surface Area	74.6
Heavy Atom Count	19
Formal Charge	0

Physical & Chemical Properties

Collision Cross Section	173.8 Ų [M-H]-
Collision Cross Section	159.5 Ų [M+H]+
Collision Cross Section	175.1 Ų [M+Na]+

Physical description & handling notes

• 174.4 Ų [M-H]- [CCS Type: DT; Method: stepped-field]

Regulatory Status

GHS notification summary	1.4% (2 / 140)

GHS Hazard Classification

GHS notification summary	1.4% (2 / 140)
Reported hazard statements	H400, H410

Documented Uses

• Drugs used to prevent NAUSEA or VOMITING.
• Drugs used to induce SLEEP, prevent SLEEPLESSNESS, or treat SLEEP INITIATION AND MAINTENANCE DISORDERS.
• Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
• Any of the hormones produced naturally in plants and active in controlling growth and other functions. There are three primary classes: auxins, cytokinins, and gibberellins.
• Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

Synonyms

21293-29-8; ABSCISIC ACID; Abscisin II; Dormin; 72S9A8J5GW; NSC-146877; NSC-148832; Abscissins; Abscissic Acid; 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-; RefChem:914905; (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid; (+-)-(CIS,TRANS)-ABSCISIC ACID; 244-319-5; (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid; (+)-Abscisic acid

Frequently Asked Questions

What are the CAS number and molecular formula of [S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid?

CAS 21293-29-8; molecular formula C15H20O4; molecular weight — g/mol.

What other names is [S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid known by?

21293-29-8, ABSCISIC ACID, Abscisin II, Dormin, 72S9A8J5GW, NSC-146877.

Is [S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid classified as hazardous?

1.4% of GHS notifications report no hazard classification (2 of 140).

What are the key physical properties of [S-(Z,E)]-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid?

Collision Cross Section: 173.8 Ų [M-H]-; Collision Cross Section: 159.5 Ų [M+H]+; Collision Cross Section: 175.1 Ų [M+Na]+.

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.