Sandacanol

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Catalog Number
ACM28219616
Product Name
Sandacanol
Structure
Structure
CAS
28219-61-6
Category
Heterocyclic Organic Compound
Synonyms
Ethyl trimethylcyclopentene butenol
IUPAC Name
(E)-2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol
Molecular Weight
208.34
Molecular Formula
C14H24O
Canonical SMILES
CCC(=CCC1CC=C(C1(C)C)C)CO
InChI
InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7+
InChI Key
KHQDWCKZXLWDNM-KPKJPENVSA-N
Boiling Point
114-116 °C
Density
0.91 g/mL at 25 °C(lit.)
Exact Mass
208.182715385
Isomeric SMILES
CC/C(=C\CC1CC=C(C1(C)C)C)/CO
Monoisotopic Mass
208.182715385
Physical Description
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-yl)-but-2-en-1-ol, mixture of isomers 96% (25ml)
Physical State
Liquid
Refractive Index
n20/D 1.4865-1.4885(lit.)
Storage Conditions
-20 °C
Topological Polar Surface Area
20.2 Ų
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