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(-)-CIS, TRANS-ABSCISIC ACID

(-)-CIS, TRANS-ABSCISIC ACID structure

CAS No:
14398-53-9
Formula:
C15H20O4
Chemical Name:
(-)-CIS, TRANS-ABSCISIC ACID
Synonyms:
(-)-CIS, TRANS-ABSCISIC ACID;[R]-5-[1-HYDROXY-2,6,6-TRIMETHYL-4-OXOCYCLOHEX-2-EN-1-YL]-3-METHYL-[2Z,4E]-PENTADIENOIC ACID;(+/-) 2-cis-4-trans-Abscisic acid, 98+%;(2Z,4E)-3-Methyl-5-(1β-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexene-1-yl)-2,4-pentadienoic acid;(2Z,4E)-5-[1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1α-yl]-3-methyl-2,4-pentadienoic acid;(R)-(-)-Abscisic acid;R(-)-Abscisic acid;(-)-cis,trans-ABSCISIC ACID (R-ABA)

Description

(-)-abscisic acid is the (1'R)-(-) enantiomer of abscisic acid, which does not occur naturally. It has a role as a plant hormone. It is an enantiomer of a (+)-abscisic acid.|Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.

(-)-CIS, TRANS-ABSCISIC ACID Basic Attributes

Molecular Weight：

264.32

Exact Mass：

264.13600

EC Number：

244-319-5

UNII：

4F7961S98F

DSSTox ID：

DTXSID1030604|DTXSID0036766

Characteristics

PSA：

74.6

XLogP3：

2.24990

Density：

1.193±0.06 g/cm3(Predicted)

Melting Point：

162-163°

Boiling Point：

458.7±45.0 °C(Predicted)

Flash Point：

245.4ºC

Refractive Index：

1.583

Storage Conditions：

−20°C

Vapor Pressure：

2.41E-10mmHg at 25°C

Specific rotation：

D20 -426.2° (c = 1 in 0.005N H2SO4)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 159 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

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. (See all compounds classified as Plant Growth Regulators.)

MeSH Entry Terms：

2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, (S-(Z,E))-

(-)-CIS, TRANS-ABSCISIC ACID Use and Manufacturing

Use Classification：

Lipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C15 isoprenoids (sesquiterpenes) [PR0103]

Computed Properties

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
Complexity:494
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (-)-CIS, TRANS-ABSCISIC ACID

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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(-)-CIS, TRANS-ABSCISIC ACID

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