(R,R)-(-)-2,4-Pentanediol - CAS 42075-32-1

Catalog:	BB050222
Product Name:	(R,R)-(-)-2,4-Pentanediol
CAS:	42075-32-1
Synonyms:	2,4-Pentanediol, (2R,4R)-; (2R,4R)-2,4-Pentanediol; 2,4-Pentanediol, [R-(R,R)]-; (-)-2,4-Pentanediol; (2R,4R)-(-)-2,4-Pentanediol; (2R,4R)-(-)-Pentanediol; (2R,4R)-(-)-threo-2,4-Pentanediol; (2R,4R)-Pentan-2,4-diol; (2R,4R)-Pentanediol; (R,R)-Pentanediol; (R,R)-2,4-Pentanediol

Technical Data

Related CAS:	72345-23-4 ((2S,4S)-isomer)
IUPAC Name:	(2R,4R)-pentane-2,4-diol
Description:	(R,R)-(-)-2,4-Pentanediol, a chemical compound prominent in the biomedical field, serves as a key component in the fabrication of pharmaceutical agents. Particularly renowned for its role in formulating medications tailored to combat neurological ailments and specific forms of cancer, its utilization underscores the pivotal significance of this compound.
Molecular Weight:	104.15
Molecular Formula:	C5H12O2
Canonical SMILES:	CC(CC(C)O)O
InChI:	InChI=1S/C5H12O2/c1-4(6)3-5(2)7/h4-7H,3H2,1-2H3/t4-,5-/m1/s1
InChI Key:	GTCCGKPBSJZVRZ-RFZPGFLSSA-N
Boiling Point:	111-113°C at 19 Torr
Melting Point:	50.5°C
Flash Point:	101 °C(213.8 °F)
Purity:	≥95%
Density:	0.974±0.06 g/cm3
Appearance:	White Crystalline Powder
Storage:	Store at RT under inert atmosphere
MDL:	MFCD00063893

Complexity:	39.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	104.083729621
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	104.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1