Pentan-3-ol

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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

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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

3-Pentanone
1-Propanol
Propionic anhydride
1-Penten-3-ol
Benzyl carbamate
1-Penten-3-one
Isopropanol
Diphenyl(propyl)phosphine
methyl iodide
Pentane

DownStream

1,3-Pentadiene
pentan-3-yl 2-ethylbutanoate
1-Hexanol
Oseltamivir
3-Pentanone
2-Pentene, (2E)-
3-Pentanone,2-bromo-
2(5H)-Furanone
3-Bromopentane

Customs

[ HS Code ]: 29051500

Articles

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

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...

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1-ethoxypentan-3-ol
2-methylpentan-3-ol
3-Amino-pentan-3-ol
2-phenylpentan-3-ol
1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]cyclopropane-1-carbaldehyde
tert-butyl N-[2-methyl-4-(morpholin-4-yl)-1-oxobutan-2-yl]carbamate
4-(5-chloro-1H-indol-2-yl)butanal
Tert-butyl 2-(1-formylcyclopropyl)morpholine-4-carboxylate
3-(5-Bromo-3-fluoro-2-hydroxyphenyl)prop-2-enal
N,N,2,4-Tetramethyl-5-nitrobenzenamine
Methyl 3-(aminomethyl)hept-4-enoate
tert-butyl N-[2-(4-methoxy-2-nitrophenyl)-1-oxopropan-2-yl]-N-methylcarbamate
1-(4,5,6,7-Tetrahydro-1-benzothiophen-3-yl)cyclopropane-1-carbaldehyde
tert-butyl N-[2-(4-methanesulfonylphenyl)-1-oxopropan-2-yl]-N-methylcarbamate

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