CAS 504-63-2|1,3-Propanediol

Introduction:Basic information about CAS 504-63-2|1,3-Propanediol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name1,3-Propanediol
CAS Number504-63-2Molecular Weight76.094
Density1.052Boiling Point214.4±0.0 °C at 760 mmHg
Molecular FormulaC3H8O2Melting Point-32 °C
MSDSChineseUSAFlash Point79.4±0.0 °C

Names

Namepropane-1,3-diol
SynonymMore Synonyms

1,3-Propanediol BiologicalActivity

Description1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. F. Barbirato, et al. Glycerol fermentation by a new 1,3-propanediol-producing microorganism:Enterobacter agglomerans. Applied Microbiology and Biotechnology volume 43, pages786-793(1995).

Chemical & Physical Properties

Density1.052
Boiling Point214.4±0.0 °C at 760 mmHg
Melting Point-32 °C
Molecular FormulaC3H8O2
Molecular Weight76.094
Flash Point79.4±0.0 °C
Exact Mass76.052429
PSA40.46000
LogP-1.04
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.434
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILESOCCCO
Water Solubility100 g/L

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TY2010000
CHEMICAL NAME :
1,3-Propanediol
CAS REGISTRY NUMBER :
504-63-2
BEILSTEIN REFERENCE NO. :
0969155
LAST UPDATED :
199710
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C3-H8-O2
MOLECULAR WEIGHT :
76.11
WISWESSER LINE NOTATION :
Q3Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4780 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10930 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
2100 mg/kg/10W (Continuous)
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 50,87,1984 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 82065 No. of Facilities: 85 (estimated) No. of Industries: 3 No. of Occupations: 5 No. of Employees: 1040 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 82065 No. of Facilities: 652 (estimated) No. of Industries: 14 No. of Occupations: 18 No. of Employees: 12083 (estimated) No. of Female Employees: 126 (estimated)

Safety Information

Personal Protective EquipmentEyeshields;Gloves
Hazard CodesXi
Risk Phrases38
Safety PhrasesS23-S24/25
RIDADRNONH for all modes of transport
WGK Germany1
RTECSTY2010000
HS Code29053980

Customs

HS Code2905399001
Summary2905399001 propane-1,3-diol。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tarrif:5.5%。general tariff:30.0%

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Synonyms

1,3-Dihydroxypropane
Propan-1,3-diol
MFCD00002949
1,3-Propane diol
propylene glycol
I,3-Propandiol
Trimethylene glycol
2-Deoxyglycerol
1,3-Propylene glycol
1,3-Propandeiol
1,3-Propylenediol
1,3-PROPANDIOL
Propane-1,3-diol
1,3-Dihydroxypropane,Bio-PDO,PG
EINECS 207-997-3
PDO
1,3-Propanediol
1,3-prpanediol
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