1-Cyclohexenemethanol - CAS 4845-04-9
Catalog: |
BB069000 |
Product Name: |
1-Cyclohexenemethanol |
CAS: |
4845-04-9 |
Synonyms: |
(1-Cyclohexen-1-yl)methanol; (Cyclohexenyl)methanol; 1-(Hydroxymethyl)-1-cyclohexene; 1-Cyclohexenylmethanol; NSC 249806; Cyclohex-1-en-1-ylmethanol |
IUPAC Name: | cyclohexen-1-ylmethanol |
Description: | 1-Cyclohexenemethanol is a volatile component isolated from Eucalyptus species. |
Molecular Weight: | 112.17 |
Molecular Formula: | C7H12O |
Canonical SMILES: | C1CCC(=CC1)CO |
InChI: | InChI=1S/C7H12O/c8-6-7-4-2-1-3-5-7/h4,8H,1-3,5-6H2 |
InChI Key: | QBJOHGAEIAUULA-UHFFFAOYSA-N |
References: | Lee, K., Shibamoto, T. J. Sci. Food Agr., 81, 1573 (2001). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 94.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.088815002 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.088815002 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 20.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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