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764-60-3 molecular structure
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hex-2-yn-1-ol

ChemBase ID: 106771
Molecular Formular: C6H10O
Molecular Mass: 98.143
Monoisotopic Mass: 98.07316494
SMILES and InChIs

SMILES:
CCCC#CCO
Canonical SMILES:
CCCC#CCO
InChI:
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h7H,2-3,6H2,1H3
InChIKey:
BTDWSZJDLLLTMI-UHFFFAOYSA-N

Cite this record

CBID:106771 http://www.chembase.cn/molecule-106771.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
hex-2-yn-1-ol
IUPAC Traditional name
hex-2-yn-1-ol
Synonyms
2-HEXYN-1-OL
Hex-2-yn-1-ol
2-Hexyn-1-ol
2-己炔-1-醇
CAS Number
764-60-3
EC Number
212-128-6
MDL Number
MFCD00039540
Beilstein Number
1736274
PubChem SID
24882351
162094533
PubChem CID
69818

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 13.552864  H Acceptors
H Donor LogD (pH = 5.5) 1.4350734 
LogD (pH = 7.4) 1.4350731  Log P 1.4350734 
Molar Refractivity 30.5443 cm3 Polarizability 11.301622 Å3
Polar Surface Area 20.23 Å2

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Boiling Point
167°C expand Show data source
66-67 °C/10 mmHg(lit.) expand Show data source
Flash Point
154.4 °F expand Show data source
68 °C expand Show data source
68°C(154°F) expand Show data source
Density
0.893 g/mL at 25 °C(lit.) expand Show data source
0.897 expand Show data source
Refractive Index
1.4540 expand Show data source
n20/D 1.4536(lit.) expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) 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
22 expand Show data source
Safety Statements
36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
Purity
95+% expand Show data source
97% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C6H10O expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05201376 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 630829 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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