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1113-21-9 molecular structure
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(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol

ChemBase ID: 152048
Molecular Formular: C20H34O
Molecular Mass: 290.48336
Monoisotopic Mass: 290.26096571
SMILES and InChIs

SMILES:
CC(=CCC/C(=C/CC/C(=C/CCC(C)(C=C)O)/C)/C)C
Canonical SMILES:
C=CC(CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)(O)C
InChI:
InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3
InChIKey:
IQDXAJNQKSIPGB-UHFFFAOYSA-N

Cite this record

CBID:152048 http://www.chembase.cn/molecule-152048.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
IUPAC Traditional name
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraen-3-ol
Synonyms
3,7,11,15-Tetramethyl-1,6,10,14-cetene-3-ol
3,7,11,15-Tetramethyl-3-hydroxy-1,6,10,14-hexadecatetraene
Geranyl Linalool
3,7,11,15-Tetramethyl-1,6,10,14-hexadecatetraen-3-ol
Geranyllinalool
3,7,11,15-TetraMethylhexadeca-1,6,10,14-tetraen-3-ol
3,7,11,15-四甲基-1,6,10,14-十六碳四烯-3-醇
香叶基芳樟醇
CAS Number
1113-21-9
8931-30-6
EC Number
214-201-8
MDL Number
MFCD00059363
Beilstein Number
6713421
PubChem SID
162246194
PubChem CID
5365872

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5365872 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.459389  H Acceptors
H Donor LogD (pH = 5.5) 5.966921 
LogD (pH = 7.4) 5.966921  Log P 5.966921 
Molar Refractivity 97.8118 cm3 Polarizability 37.32096 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds 10 
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Flash Point
179 °C expand Show data source
354.2 °F expand Show data source
Density
0.885 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
n20/D 1.490 expand Show data source
RTECS
MM0335000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
≥95% (GC) expand Show data source
97% expand Show data source
Grade
technical expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C20H34O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 48809 external link
Packaging
1 mL in glass bottle
Toronto Research Chemicals - G367750 external link
Geranyl Linalool is am aliphatic genaryl derivative. Geranyl Linalool unlike other genaryl derivatives showed poor inhibitory activity against carotenoid synthesis in Synechococcus. Geranyl Linalool was identified as a testosterone-dependent volatile comp

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Juettner, F. et al.: Zeitsch. Naturforsch. C J. Biosci., 38C, 387 (1983)
  • • Ponmanickam, P. et al.: Gen. Comp. Endocrinol., 167, 35 (2010):
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PATENTS

PATENTS

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INTERNET

INTERNET

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