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Dicinnamalacetone

Dicinnamalacetone structure

CAS No:
622-21-9
Formula:
C21H18O
Chemical Name:
Dicinnamalacetone
Synonyms:
1,3,6,8-Nonatetraen-5-one,1,9-diphenyl-;1,9-Diphenyl-1,3,6,8-nonatetraen-5-one;5-Oxo-1,9-diphenyl-1,3,6,8-nonatetraene;Dicinnamalacetone;Dicinnamylideneacetone;NSC 6245
Categories:
Chemical Reagents > Organic Reagents

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Description

yellow powder

Dicinnamalacetone Basic Attributes

Molecular Weight：

286.37

Exact Mass：

286.37

EC Number：

210-724-0

DSSTox ID：

DTXSID8060747

HScode：

2914399090

Characteristics

PSA：

17.07000

XLogP3：

4.46

Density：

1.0966 g/cm³

Melting Point：

146 °C

Boiling Point：

474.8±34.0 °C at 760 mmHg

Flash Point：

208.7±20.6 °C

Refractive Index：

1.643

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

24/25

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 4 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Dicinnamalacetone Use and Manufacturing

Manufacturing Info：

1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl-: INACTIVE

Computed Properties

Molecular Weight:286.4
XLogP3:5.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:286.135765193
Monoisotopic Mass:286.135765193
Topological Polar Surface Area:17.1
Heavy Atom Count:22
Complexity:387
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes