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Isocitral

Isocitral structure

CAS No:
1754-00-3
Formula:
C10H16O
Chemical Name:
Isocitral
Synonyms:
3,6-Octadienal,3,7-dimethyl-;Isocitral;3,7-Dimethyl-3,6-octadienal

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Description

Isocitral is a monoterpenoid.

Isocitral Basic Attributes

Molecular Weight：

152.23300

Exact Mass：

152.23

EC Number：

259-777-1

DSSTox ID：

DTXSID5069045

Characteristics

PSA：

17.07000

XLogP3：

2.87800

Density：

0.890 g/cm³ @ Temp: 15 °C

Boiling Point：

95-97 °C

Flash Point：

83.5ºC

Refractive Index：

1.456

Vapor Pressure：

0.114mmHg at 25°C

Safety Information

GHS Classification：

|Warning|H315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501|Aggregated GHS information provided by 104 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Isocitral Use and Manufacturing

Manufacturing Info：

3,6-Octadienal, 3,7-dimethyl-: ACTIVE

Computed Properties

Molecular Weight:152.23
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:152.120115130
Monoisotopic Mass:152.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:171
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Isocitral

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties

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