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(-)-1,3-Butanediol

IUPAC: (3R)-butane-1,3-diol

CAS 6290-03-5
C4H10O2

(-)-1,3-Butanediol (CAS 6290-03-5) is a chemical compound with molecular formula C4H10O2 and molecular weight 90.12 g/mol . GHS signal word: Warning. Hazard classifications: Health Hazard.

What is (-)-1,3-Butanediol?

Molecular Formula
C4H10O2
Molecular Weight
90.12 g/mol

Description

(R)-butane-1,3-diol is a butane-1,3-diol of R-configuration. It is an enantiomer of a (S)-butane-1,3-diol.

Structure Identifiers

SMILES
C[C@H](CCO)O
InChI
InChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m1/s1
InChIKey
PUPZLCDOIYMWBV-SCSAIBSYSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
90.0681 Da
XLogP
-0.40
TPSA
40.5 Ų
H-Bond Donors
2
H-Bond Acceptors
2
Complexity
29
Formal Charge
0

Safety information

Signal Word

Warning

GHS Pictograms

GHS pictogram: Health Hazard GHS07

Hazard Statements

  • H315 Causes skin irritation

Precautionary Statements

  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray
  • P264 Wash thoroughly after handling
  • P271 Use only outdoors or in a well-ventilated area
  • P280 Wear protective gloves/protective clothing/eye protection/face protection
  • P302+P352 IF ON SKIN: Wash with soap and water
  • P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
  • P305+P351+P338 IF IN EYES: Rinse continuously with water for several minutes. Remove contact lenses if present and easy to do, continue rinsing
  • P321 Specific treatment (see supplemental first aid instructions on this label)
  • P403+P233 Store in a well-ventilated place. Keep container tightly closed
  • P405 Store locked up
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (44)

  • BU4
  • B1159
  • O10183
  • AC-5640
  • F041923
  • FB01770
  • AS-11116
  • CS-M1638
  • G75074LG
  • HY-77490
  • SY049450
  • 6290-03-5
  • Q27123551
  • EBC-252087
  • NS00080628
  • orb1706087
  • CHEBI:52687
  • MFCD00064277
  • AKOS005146047
  • AKOS015838959
  • EN300-7206273
  • SCHEMBL222874
  • RefChem:407056
  • SCHEMBL2380243
  • SCHEMBL3048735
  • DTXSID001016432
  • SCHEMBL28104703
  • 1,3-Butanediol #
  • EINECS 228-532-0
  • (-)-1,3-Butanediol
  • (R)-1,3-butanediol
  • 1,3-(R)-butanediol
  • GlyTouCan:G75074LG
  • (R)-butane-1,3-diol
  • (3R)-butane-1,3-diol
  • 1,3-Butanediol, (R)-
  • (R)-(-)-1,3-butandiol
  • 1,3-Butanediol, (3R)-
  • (R)-(-)-1,3-Butanediol
  • (R)-(-)-Butane-1,3-diol
  • (R)-(-)-1,3-Butanediol, 98%
  • (R)-(-)-1,3-Butylene Glycol
  • (R)-(-)-1,3-Dihydroxybutane
  • (R)?-?(-?)?-?1,?3-?Butanediol

Frequently asked questions

What is the CAS number of (-)-1,3-Butanediol?

The CAS Registry Number for (-)-1,3-Butanediol is 6290-03-5.

What is the IUPAC name of (-)-1,3-Butanediol?

The IUPAC name of (-)-1,3-Butanediol is (3R)-butane-1,3-diol.

What is the molecular formula of (-)-1,3-Butanediol?

(-)-1,3-Butanediol has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol.

What is the SMILES notation for (-)-1,3-Butanediol?

The SMILES notation for (-)-1,3-Butanediol is C[C@H](CCO)O.

Is (-)-1,3-Butanediol hazardous?

(-)-1,3-Butanediol carries the following GHS hazard classifications: Health Hazard. Signal word: Warning.

What are other names for (-)-1,3-Butanediol?

(-)-1,3-Butanediol is also known as (-)-1,3-Butanediol, (3R)-butane-1,3-diol, (R)-(-)-1,3-butandiol, (R)-(-)-1,3-Butanediol, (R)-(-)-1,3-Butanediol, 98%.

Data sourced from PubChem CID 637497. Last updated .

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