β-Caryophyllene alcohol
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β-Caryophyllene alcohol
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CAS No:
472-97-9
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Formula:
C15H26O
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Chemical Name:
β-Caryophyllene alcohol
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Synonyms:
Tricyclo[6.3.1.02,5]dodecan-1-ol,4,4,8-trimethyl-,(1R,2S,5R,8S)-;Tricyclo[6.3.1.02,5]dodecan-1-ol,4,4,8-trimethyl-,stereoisomer;Tricyclo[6.3.1.02,5]dodecan-1-ol,4,4,8-trimethyl-,[1R-(1α,2α,5β,8β)]-;(1R,2S,5R,8S)-4,4,8-Trimethyltricyclo[6.3.1.02,5]dodecan-1-ol;β-Caryophyllene alcohol;Caryolan-1-ol;β-Caryolanol;(+)-Caryolan-1-ol;18099-00-8;29123-46-4;52104-11-7;880764-53-4
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CAS No:
Characteristics
20.23000
3.75390
Solid
1.011g/cm3
93-94 °C
295ºC at 760mmHg
123.6ºC
1.52
Practically insoluble or insoluble in water
146.1 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
β-Caryophyllene alcohol Use and Manufacturing
Tricyclo[6.3.1.02,5]dodecan-1-ol, 4,4,8-trimethyl-, (1R,2S,5R,8S)-: ACTIVE
Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT;|Flavoring Agents
Computed Properties
Molecular Weight:222.37
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:222.198365449
Monoisotopic Mass:222.198365449
Topological Polar Surface Area:20.2
Heavy Atom Count:16
Complexity:309
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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