(R)-(-)-1,2-Propanediol (CED0001767)

Record Information

Version

1.0

Creation Date

2026-04-06 10:58:28 UTC

Update Date

2026-05-14 17:29:36 UTC

Accession Number

CHEM123041

Identification

Common Name

(R)-(-)-1,2-Propanediol

Class

Small Molecule

Description

(R)-(-)-1,2-Propanediol is an organic compound with the formula C3H8O2 and an average molecular weight of 76.09 g/mol. (R)-(-)-1,2-Propanediol belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. This compound is found in or released from six recorded sources. These sources include building and construction materials such as fencing, floors, roofs, tents, or canopies, as well as electrical and electronic equipment including amplifiers and antennas. In terms of biological activity, (R)-(-)-1,2-Propanediol has two recorded protein targets: lysozyme C (LYZ) and isocitrate dehydrogenase [NADP] (icd).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃H₈O₂

Average Molecular Mass

76.094 g/mol

Monoisotopic Mass

76.052 g/mol

CAS Registry Number

4254-14-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C[C@@H](O)CO

InChI Identifier

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1

InChI Key

DNIAPMSPPWPWGF-GSVOUGTGSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum	splash10-014j-0900000000-d90655d5a614c4ddf998	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-014i-1900000000-ab4a1ff05d1275711170	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0002-9000000000-a18bede40461dace657b	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-0002-9000000000-6d2345a66e2cf8d2d379	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-014j-0900000000-d90655d5a614c4ddf998	Not Available	View Spectrum
GC-MS	GC-MS Spectrum	splash10-014i-1900000000-ab4a1ff05d1275711170	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0a7i-9000000000-6c96c59f8ba2e0e5353e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-005d-9000000000-ae07e4049d24341335ec	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00aj-9000000000-f455f8f0f79f9970711a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-9000000000-c5bf57086deb14e12495	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-9000000000-6d2345a66e2cf8d2d379	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-0a1a58ae50ca7bfbc92f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a6r-9000000000-4f58eaf424aa13185ca2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9000000000-d0e5def95a7a7879dc71	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-004i-9000000000-5bf5d9d3c7cf604af9a3	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-056r-9000000000-ea5b27ac0cc585591f63	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-ecc48f7be3304c6cc1e0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a6r-9000000000-ea4d9d80ebf7615e6811	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-9000000000-a77309b9b0e17e94870d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-7bb23415e61ec73a459c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-5dba4634f494296e1347	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4l-9000000000-2174cc6a153316ad8c52	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-9000000000-a1a685f935041163641b	Not Available	View Spectrum
MS	MS Spectrum	splash10-0002-9000000000-cbc512db1a4c5510015e	Not Available	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, predicted)	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
5637.0	Log mg/kg	[3200:10000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
496	Fencing	Building & Construction	Not Available
497	Floors	Building & Construction	Not Available
499	Roofs	Building & Construction	Not Available
503	Tents Or Canopies	Building & Construction	Not Available
505	Amplifiers	Electrical & Electronic Equipment	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	6.30579
Click to view 3D structure	Sodium- and chloride-dependent creatine transporter 1	P28570	Rattus norvegicus	Predicted (SEA)	12.0666
Click to view 3D structure	Beta-glucosidase A	P10482	Caldicellulosiruptor saccharolyticus	Predicted (SEA)	0.856341
Click to view 3D structure	Taste receptor type 2 member 50	P59544	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 45	P59539	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 42	Q7RTR8	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 41	P59536	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 7	Q9NYW3	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 30	P59541	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 60	P59551	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 19	P59542	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 20	P59543	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 1	Q9NYW7	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 40	P59535	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 3	Q9NYW6	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 13	Q9NYV9	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 39	P59534	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 5	Q9NYW4	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 9	Q9NYW1	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Taste receptor type 2 member 43	P59537	Humans	Predicted (SEA)	49.6678
Click to view 3D structure	Beta-2 adrenergic receptor	Q8K4Z4	Cavia porcellus	Predicted (SEA)	1147.65
Click to view 3D structure	CAI-1 autoinducer sensor kinase/phosphatase CqsS	Q9KM66	Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)	Predicted (SEA)	52.3925
Click to view 3D structure	Beta-1 adrenergic receptor	B0FL73	Cavia porcellus	Predicted (SEA)	950.85
Click to view 3D structure	Leucine aminopeptidase	Q29571	Sus scrofa	Predicted (SEA)	2.88042
Click to view 3D structure	Beta-galactosidase	Q58D55	Bos taurus	Predicted (SEA)	34.098

Concentrations

Not Available

External Links

Identifiers

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

(R)-(-)-1,2-Propanediol (CED0001767)

Structure for CHEM123041: (R)-(-)-1,2-Propanediol

No pathways found

Structure