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Pseudoionone

Pseudoionone structure

CAS No:
141-10-6
Formula:
C13H20O
Chemical Name:
Pseudoionone
Synonyms:
3,5,9-Undecatrien-2-one,6,10-dimethyl-;Pseudoionone;6,10-Dimethyl-3,5,9-undecatrien-2-one;Citrylideneacetone;2,6-Dimethylhendeca-2,6,8-trien-10-one;ψ-Ionone;2,6-Dimethyl-2,6,8-undecatrien-10-one;2-Pseudoionone;2-Pseudojonon;φ-Ionone
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Pale-yellow liquid.Soluble in alcohol and ether. Combustible. Yellow.to.dark.clear.oily.liquid;.sweet,waxy,citrus,floral,balsamic,.dry,dusty,powdery,spicy.aroma.ChEBI: A terpene ketone derived from ring cleavage of the apo carotenoid beta-ionone.

Pseudoionone Basic Attributes

Molecular Weight：

192.302

Exact Mass：

192.30

EC Number：

205-457-1

HScode：

2914190090

Characteristics

PSA：

17.1

XLogP3：

3.82430

Appearance：

Solid

Density：

0.9003 g/cm³ @ Temp: 23 °C

Melting Point：

<25 °C

Boiling Point：

144 °C

Flash Point：

84℃

Refractive Index：

n 20/D 1.53

Water Solubility：

Practically insoluble to insoluble

Vapor Pressure：

0.00132mmHg at 25°C

Safety Information

wgk germany：

safety instructions：

23-24/25

RTECS Number：

YQ2833700

Precautionary statement(s)：

P201, P202, P264, P273, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P391, P405, P501

Hazard Statements：

H315

Pseudoionone Use and Manufacturing

Perfumery, cosmetics.

Computed Properties

Molecular Weight:192.30
XLogP3:3.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:192.151415257
Monoisotopic Mass:192.151415257
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:263
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes