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3-Pentanol

3-Pentanol structure

CAS No:
584-02-1
Formula:
C5H12O
Chemical Name:
3-Pentanol
Synonyms:
3-Pentanol;Diethyl carbinol;3-Pentyl alcohol;1-Ethyl-1-propanol;sec-Amyl alcohol;sec-Pentanol;sec-Pentyl alcohol;NSC 8654;1-Ethylpropyl alcohol;3-Hydroxypentane
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

colourless liquid Amyl alcohols (pentanols) have eight isomers. All are flammable, colorless liquids, except the isomer 2,2- dimethyl-1-propanol, which is a crystalline solid.

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

Pentan-3-ol is a secondary alcohol that is pentane substituted at position 3 by a hydroxy group. It has a role as a pheromone and a biomarker. It is a secondary alcohol and a pentanol. It derives from a hydride of a pentane.

3-Pentanol Basic Attributes

Molecular Weight：

88.148

Exact Mass：

88.15

EC Number：

209-526-7

UNII：

X4ELC182I5

ICSC Number：

0536

NSC Number：

8654

UN Number：

1105

DSSTox ID：

DTXSID8060400

HScode：

29051500

Characteristics

PSA：

20.23000

XLogP3：

1.22

Appearance：

COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR.

Density：

0.8 g/cm³

Melting Point：

-8 °C

Boiling Point：

116 °C

Flash Point：

40.6±0.0 °C

Refractive Index：

1.405

Water Solubility：

5.5 g/100 mL (30 ºC)

Vapor Pressure：

11.69 hPa (25 °C)

Vapor Density：

Relative vapor density (air = 1): 3

Toxicity：

LD50 orally in Rabbit: 1870 mg/kg LD50 dermal Rabbit 2066 mg/kg

OH：

1.22e-11 cm3/molecule*sec

Autoignition Temperature：

360 °C

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1105 3/PG 3

wgk germany：

hazard class code：

R10;R20;R37;R66

safety instructions：

S46

RTECS Number：

SA5075000

Marks：

Xn:Harmful;

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261

Hazard Statements：

H226-H315-H332-H335

Fire Hazards：

Flammable. Heating will cause rise in pressure with risk of bursting. Above 30 °C explosive vapour/air mixtures may be formed.|Flammable - 2nd degree

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 287 companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H226: Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501

Fire Fighting：

Use alcohol-resistant foam, powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Explosive Limits and Potential：

Explosive limits , vol% in air: 1.2-10.5

Spillage Disposal：

Remove all ignition sources. Personal protection: filter respirator for organic gases and particulates adapted to the airborne concentration of the substance. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Safe Storage：

Fireproof. Separated from strong oxidants.

Inhalation Risk：

A harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

Effects of Short Term Exposure：

The substance is irritating to the eyes, skin and respiratory tract. If swallowed the substance may cause vomiting and could result in aspiration pneumonitis. The substance may cause effects on the central nervous system. Exposure at high levels could cause lowering of consciousness.

Effects of Long Term Exposure：

Repeated or prolonged contact with skin may cause dermatitis.

Fire Prevention：

NO open flames, NO sparks and NO smoking. Above 30 °C use a closed system, ventilation and explosion-proof electrical equipment.

Exposure Prevention：

PREVENT GENERATION OF MISTS!

Inhalation Prevention：

Use ventilation, local exhaust or breathing protection.

Skin Prevention：

Protective gloves.

Eye Prevention：

Wear safety spectacles or eye protection in combination with breathing protection.

Drug Information

First Aid：

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse skin with plenty of water or shower. Seek medical attention if you feel unwell.

Rinse with plenty of water (remove contact lenses if easily possible). Refer for medical attention.

Exposure Routes：

The substance can be absorbed into the body by inhalation, through the skin and by ingestion.

Symptoms：

Cough. Sore throat. Headache. Nausea. Dizziness. Drowsiness. Unconsciousness.

Redness.

Redness. Pain. Temporary loss of vision.

3-Pentanol Use and Manufacturing

Manufacturing Info：

3-Pentanol: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fire Hazards -> Flammable - 2nd degree

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:88.15
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:88.088815002
Monoisotopic Mass:88.088815002
Topological Polar Surface Area:20.2
Heavy Atom Count:6
Complexity:23.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 584-02-1

Grade: Industrial Grade

Content: 99.9%

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3-Pentanol

CAS No.: 584-02-1

Grade: industrial Grade

Content: 98%

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