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71048-82-3

71048-82-3 Structure

71048-82-3 Structure
IdentificationBack Directory
[Name]

[1alpha(E),2beta]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
[CAS]

71048-82-3
[Synonyms]

DELTA-DAMASCONE
(E)-1-(2β,6,6-Trimethyl-3-cyclohexen-1α-yl)-2-buten-1-one
[1alpha(E),2beta]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
1a,2,3,4,4a,5,6,7b-octahydro-1,1,4,7-tetramethyl-1H-cylcoprop[e]azulene
2-Buten-1-one, 1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel-
1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, [1.alpha.(E),2.beta.]-2-Buten-1-one
[EINECS(EC#)]

275-156-8
[Molecular Formula]

C13H20O
[MOL File]

71048-82-3.mol
[Molecular Weight]

192.3
Chemical PropertiesBack Directory
[Boiling point ]

263.6±29.0 °C(Predicted)
[density ]

0.890±0.06 g/cm3(Predicted)
[vapor pressure ]

2.72Pa at 23℃
[storage temp. ]

-20°C
[Odor]

at 1.00 % in dipropylene glycol. fruity sweet rose natural petal cassis black currant
[Odor Type]

floral
[Water Solubility ]

77.2mg/L at 20℃
[JECFA Number]

386
[Cosmetics Ingredients Functions]

PERFUMING
[LogP]

4.2 at 35℃
[EPA Substance Registry System]

2-Buten-1-one, 1-[(1R,2S)-2,6,6-trimethyl-3-cyclohexen-1-yl]-, (2E)-rel- (71048-82-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H302-H317-H410-H315-H400
[Precautionary statements ]

P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P264-P270-P301+P312-P330-P501-P273-P391-P501-P264-P280-P302+P352-P321-P332+P313-P362-P273-P391-P501
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[REACH Registrations]

Active
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Aquatic Acute 1
Aquatic Chronic 1
Skin Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Uses]

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034.
This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma aldrich.com
[Synthesis Reference(s)]

Tetrahedron Letters, 16, p. 515, 1975 DOI: 10.1016/S0040-4039(00)71908-3
[Flammability and Explosibility]

Notclassified
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