ChemicalBook--->CAS DataBase List--->6032-29-7

6032-29-7

6032-29-7 Structure

6032-29-7 Structure
IdentificationMore
[Name]

2-Pentanol
[CAS]

6032-29-7
[Synonyms]

1-METHYL-1-BUTANOL
(+/-)-2-PENTANOL
2-PENTANOL
DL-2-PENTANOL
DL-SEC-AMYL ALCOHOL
FEMA 3316
METHYL-N-PROPYLCARBINOL
METHYL PROPYL CARBINOL
PENTAN-2-OL
SEC-AMYL ALCOHOL
SEC-INACT-AMYL ALCOHOL
SEC-INACTIVE-AMYL ALCOHOL
SEC-N-AMYL ALCOHOL
SEC-PENTYL ALCOHOL
S-N-AMYL ALCOHOL
(RS)-2-Pentanol
1-Methylbutanol
2-hydroxypentane
2-Pentyl alcohol
alcoold’amylesecondaire
[EINECS(EC#)]

227-907-6
[Molecular Formula]

C5H12O
[MDL Number]

MFCD00004579
[Molecular Weight]

88.15
[MOL File]

6032-29-7.mol
Chemical PropertiesBack Directory
[Appearance]

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

-50 °C
[Boiling point ]

118-119 °C (lit.)
[density ]

0.812 g/mL at 25 °C(lit.)
[vapor density ]

3 (vs air)
[vapor pressure ]

3 hPa (20 °C)
[FEMA ]

3316
[refractive index ]

n20/D 1.406(lit.)
[Fp ]

93 °F
[storage temp. ]

Flammables area
[solubility ]

166g/l
[form ]

Liquid
[pka]

15.31±0.20(Predicted)
[color ]

Clear colorless
[Odor]

at 100.00 %. mild green fusel oil fermented
[Relative polarity]

0.488
[biological source]

synthetic
[explosive limit]

1.2-10.5%(V)
[Odor Threshold]

0.29ppm
[Odor Type]

fermented
[Water Solubility ]

16.6 g/ 100 mL (20 ºC)
[JECFA Number]

280
[Merck ]

14,7119
[BRN ]

1718819
[Dielectric constant]

13.8(22℃)
[Major Application]

cleaning products
cosmetics
food and beverages
personal care
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
[InChIKey]

JYVLIDXNZAXMDK-UHFFFAOYSA-N
[SMILES]

CCCC(C)O
[LogP]

1.22
[CAS DataBase Reference]

6032-29-7(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Pentanol(6032-29-7)
[EPA Substance Registry System]

6032-29-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H315-H319-H332-H335
[Precautionary statements ]

P210-P233-P240-P303+P361+P353-P304+P340+P312-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

R10:Flammable.
R20:Harmful by inhalation.
R37:Irritating to the respiratory system.
R66:Repeated exposure may cause skin dryness or cracking.
[Safety Statements ]

S46:If swallowed, seek medical advice immediately and show this container or label .
[OEB]

A
[OEL]

TWA: 100 ppm (360 mg/m3), STEL: 125 ppm (450 mg/m3)
[RIDADR ]

UN 1105 3/PG 3
[WGK Germany ]

1
[RTECS ]

SA4900000
[Autoignition Temperature]

649 °F
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29051500
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Eye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. A narcotic. A skin and severe eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidzing materials. A severe explosion hazard when exposed to heat or flame. To fight fire, use alcohol foam, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALCOHOLS
[Toxicity]

LD50 orally in Rabbit: 1470 mg/kg LD50 dermal Rabbit 5250 mg/kg
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1,5-Hexanediol-->3-Pentanol-->n-C3H7CH(CH3)OOH-->1-Ethylpropyl hydroperoxide
[Preparation Products]

2-Pentanone-->1,4-Pentanediol-->Pentobarbital-->1-Methylbutyl acetate-->6-Undecanol-->(S)-(+)-2-Pentanol-->pentan-2-yl carbonochloridate-->methyl 1-methylbutyl ether
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

2-Pentanol(6032-29-7).msds
Hazard InformationBack Directory
[Potential Exposure]

(n-isomer); Suspected reprotoxic hazard, Primary irritant (w/o allergic reaction), (iso-, primary): Possible risk of forming tumors, Primary irritant (w/o allergic reaction), (sec-, active primary-, and other isomers) Primary irritant (w/o allergic reaction). Used as a solvent in organic synthesis and synthetic flavoring, pharmaceuticals, corrosion inhibitors; making plastics and other chemicals; as a flotation agent. The (n-isomer) is used in preparation of oil additives, plasticizers, synthetic lubricants, and as a solvent.
[First aid]

Skin contact contributes significantly to overall exposure. If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN2811 Pentanols, Hazard Class: 3; Labels: 3- Flammable liquid. UN1987 Alcohols, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid.
[Incompatibilities]

Forms an explosive mixture with air. Contact with strong oxidizers and hydrogen trisulfide may cause fire and explosions. Incompatible with strong acids. Violent reaction with alkaline earth metals forming hydrogen, a flammable gas.
[Chemical Properties]

2-Pentanol has a mild green, fusel-oil odor. This compound is also reported as having a winy, ethereal odor.
[Chemical Properties]

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

clear colourless liquid
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed.
[Occurrence]

Reported found in banana, Satsuma mandarin peel oil, peach, raw asparagus, vinegar, wheaten bread, cheddar cheese, Swiss cheese, other cheeses, roasted barley, roasted filbert, roasted peanut, plum brandy, Bourbon vanilla, Chinese quince, apple, orange juice, bilberry, cranberry, guava, grapes, melon, papaya, pineapple, strawberry, ginger, butter, chicken fat, hop oil, beer, cognac, Scotch whiskey, rum, cider, red wine, cocoa, tea, oats, honey, soybean, coconut meat, passion fruit, beans, mushroom, starfruit, mango, malt, mountain papaya, endive, shrimp, naranjilla fruit and cape gooseberry.
[Uses]

(±)-2-Pentanol is a widely used solvent and a building block used in the synthesis of consumer products.
[Uses]

2-Pentanol is a secondary alcohol that can be used as:
  • A hydrogen donor in the synthesis of methyl furan via catalytic transfer hydrogenation of furfural over a ruthenium/ruthenium oxide/carbon catalyst.
  • A reagent in one-pot synthesis of brominated derivatives of 1,3-dioxolane.
  • A solvent for the synthesis of organic molecules such as 2, 4-diaminopyrimidines and 4-aza-podophyllotoxins.

[Definition]

ChEBI: A secondary alcohol that is pentane substituted at position 2 by a hydroxy group.
[Preparation]

By catalytic reduction of methyl n-propyl ketone.
[General Description]

2-Pentanol, a secondary alcohol, is a volatile organic compound (VOC) that is a common aroma-active component of food and beverage products.
[Purification Methods]

Refluxed it with CaO, distil it, then reflux it with magnesium and again fractionally distil it. [Beilstein 1 IV 1655.]
Questions And AnswerBack Directory
[Description]

2-Pentanol is a clear liquid that is soluble in water and alcohol. It has a fermented, alcoholic smell. It is used as a flavor and fragrance agent and applied in foods which require a crisp herbal or fruity smell and flavors such as dill, cucumber, cilantro, melon, rhubarb, guava, or tomato. It is used in baked goods, puddings, gravies, meat products, seasonings, soups, and non-alcoholic beverages. 2-pentanol is also used as a solvent and intermediate for the synthesis of other chemicals.
[References]

[1] https://en.wikipedia.org/wiki/2-Pentanol
Spectrum DetailBack Directory
[Spectrum Detail]

2-Pentanol(6032-29-7)MS
2-Pentanol(6032-29-7)1HNMR
2-Pentanol(6032-29-7)13CNMR
2-Pentanol(6032-29-7)IR1
2-Pentanol(6032-29-7)IR2
2-Pentanol(6032-29-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

DL-2-Pentanol, 98%(6032-29-7)
[Alfa Aesar]

(+/-)-2-Pentanol, 99%(6032-29-7)
[Sigma Aldrich]

6032-29-7(sigmaaldrich)
[TCI AMERICA]

2-Pentanol,>98.0%(GC)(6032-29-7)
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