2-butyl-1,3-propanediol - CAS 2612-26-2
Catalog: |
BB054369 |
Product Name: |
2-butyl-1,3-propanediol |
CAS: |
2612-26-2 |
Synonyms: |
2-Butyl-1,3-propanediol; 2-n-Butylpropane-1,3-diol |
IUPAC Name: | 2-butylpropane-1,3-diol |
Molecular Weight: | 132.20 |
Molecular Formula: | C7H16O2 |
Canonical SMILES: | CCCCC(CO)CO |
InChI: | InChI=1S/C7H16O2/c1-2-3-4-7(5-8)6-9/h7-9H,2-6H2,1H3 |
InChI Key: | SIMYRXPCIUXDGR-UHFFFAOYSA-N |
Boiling Point: | 242.8°C at 760mmHg |
Purity: | 95% |
Density: | 0.947g/cm3 |
GHS Hazard Statement: | H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] |
Precautionary Statement: | P203, P261, P272, P280, P302+P352, P318, P321, P333+P313, P362+P364, P405, and P501 |
Signal Word: | Warning |
Complexity: | 50.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 132.115029749 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 132.115029749 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Alcohols and Derivatives
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS