1,3-Propanediol

Modify Date: 2024-01-01 18:07:37

1,3-Propanediol Structure
1,3-Propanediol structure
Common Name 1,3-Propanediol
CAS Number 504-63-2 Molecular Weight 76.094
Density 1.052 Boiling Point 214.4±0.0 °C at 760 mmHg
Molecular Formula C3H8O2 Melting Point -32 °C
MSDS Chinese USA Flash Point 79.4±0.0 °C

 Use of 1,3-Propanediol


1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1].

 Names

Name propane-1,3-diol
Synonym More Synonyms

 1,3-Propanediol Biological Activity

Description 1,3-Propanediol is produced in nature by the fermentation of glycerol in microorganism[1].
Related Catalog
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

Density 1.052
Boiling Point 214.4±0.0 °C at 760 mmHg
Melting Point -32 °C
Molecular Formula C3H8O2
Molecular Weight 76.094
Flash Point 79.4±0.0 °C
Exact Mass 76.052429
PSA 40.46000
LogP -1.04
Vapour Pressure 0.0±0.9 mmHg at 25°C
Index of Refraction 1.434
Water Solubility 100 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 Equipment Eyeshields;Gloves
Hazard Codes Xi
Risk Phrases 38
Safety Phrases S23-S24/25
RIDADR NONH for all modes of transport
WGK Germany 1
RTECS TY2010000
HS Code 29053980

 Synthetic Route

 Customs

HS Code 2905399001
Summary 2905399001 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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