Pentan-3-ol
Names
[ CAS No. ]:
584-02-1
[ Name ]:
Pentan-3-ol
[Synonym ]:
EINECS 209-526-7
pentan-3-ol
4-01-00-01662 (Beilstein Handbook Reference)
sec-Amyl Alcohol
1-ethylpropanol
3-Hydroxy-pentan-2,4-dion
sec-Pentanol
sec-Pentyl alcohol
3-hydroxypentane
3-Pentyl alcohol
3-hydroxy-pentane-2,4-dione
diethyl carbinol
3-Pentanol
methylbutan-2-ol
MFCD00004574
n-pentan-3-ol
Biological Activity
[Description]:
[Related Catalog]:
[References]
Chemical & Physical Properties
[ Density]:
0.8±0.1 g/cm3
[ Boiling Point ]:
115.3±0.0 °C at 760 mmHg
[ Melting Point ]:
-75 °C
[ Molecular Formula ]:
C5H12O
[ Molecular Weight ]:
88.148
[ Flash Point ]:
40.6±0.0 °C
[ Exact Mass ]:
88.088814
[ PSA ]:
20.23000
[ LogP ]:
1.22
[ Vapour Pressure ]:
9.7±0.4 mmHg at 25°C
[ Index of Refraction ]:
1.405
[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.
[ Water Solubility ]:
5.5 g/100 mL (30 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- SA5075000
- CHEMICAL NAME :
- 3-Pentanol
- CAS REGISTRY NUMBER :
- 584-02-1
- BEILSTEIN REFERENCE NO. :
- 1730964
- LAST UPDATED :
- 199806
- DATA ITEMS CITED :
- 8
- MOLECULAR FORMULA :
- C5-H12-O
- MOLECULAR WEIGHT :
- 88.17
- WISWESSER LINE NOTATION :
- QY2&2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,197,1986
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,197,1986 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1870 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1950 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 27,1,1945
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2520 uL/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine. (Chicago, IL) V.2-10, 1950-54. For publisher information, see AEHLAU. Volume(issue)/page/year: 10,61,1954 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-DENMARK:TWA 100 ppm (360 mg/m3) JAN 1993 OEL-POLAND:TWA 100 mg/m3;STEL 450 mg/m3 JAN 1993
Safety Information
[ Symbol ]:
GHS02, GHS07
[ Signal Word ]:
Warning
[ Hazard Statements ]:
H226-H315-H332-H335
[ Precautionary Statements ]:
P261
[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
[ Hazard Codes ]:
Xn:Harmful;
[ Risk Phrases ]:
R10;R20;R37;R66
[ Safety Phrases ]:
S46
[ RIDADR ]:
UN 1105 3/PG 3
[ WGK Germany ]:
1
[ RTECS ]:
SA5075000
[ Packaging Group ]:
III
[ Hazard Class ]:
3
[ HS Code ]:
29051500
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 29051500
Articles
Bioorg. Med. Chem. 17 , 896-904, (2009)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...