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492523

Sigma-Aldrich

Equilin-2,4,16,16-d4

98 atom % D

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About This Item

Empirical Formula (Hill Notation):
C18D4H16O2
CAS Number:
285979-79-5
Molecular Weight:
272.37
MDL number:
MFCD01074212
UNSPSC Code:
12352211
PubChem Substance ID:
24872757
NACRES:
NA.12

isotopic purity

98 atom % D

form

solid

optical activity

[α]25/D 325°, c = 2 in ethanol

technique(s)

mass spectrometry (MS): suitable

mp

238-240 °C (lit.)

mass shift

M+4

SMILES string

[2H]c1cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)C3=CCc2c([2H])c1O

InChI

1S/C18H20O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3-5,10,14,16,19H,2,6-9H2,1H3/t14-,16+,18+/m1/s1/i3D,7D2,10D

InChI key

WKRLQDKEXYKHJB-DLIXUXMWSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Pictograms

Health hazard
GHS08

Signal Word

Warning

Hazard Statements

H351,H361

Hazard Classifications

Carc. 2 - Repr. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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