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3-Methyl-1-pentanol

3-Methyl-1-pentanol structure

CAS No:
589-35-5
Formula:
C6H14O
Chemical Name:
3-Methyl-1-pentanol
Synonyms:
1-Pentanol,3-methyl-;3-Methyl-1-pentanol;2-Ethyl-4-butanol;3-Ethyl-1-butanol;3-Methylpentanol;(DL)-3-Methylpentyl alcohol;(±)-3-Methyl-1-pentanol;NSC 9466;3-Ethylbutanol;20281-83-8;343268-11-1
Categories:
Cosmetic Ingredient > Perfuming

Description

3-Methyl-1-pentanol has a fruity, green, slightly pungent odor. Clear colorless liquid

colourless liquid with a pungent wine-like, cocoa odour

3-methylpentanol is a primary alcohol that is pentanol substituted by a methyl group at position 3. It has a role as a plant metabolite.

3-Methyl-1-pentanol Basic Attributes

Molecular Weight：

102.17

Exact Mass：

102.17

BRN：

1718979

EC Number：

209-644-9

NSC Number：

9466

DSSTox ID：

DTXSID20862248

HScode：

29051990

Characteristics

PSA：

20.2

XLogP3：

1.41490

Appearance：

Clear colorless Liquid

Density：

0.822 g/cm³ @ Temp: 27 °C

Melting Point：

-48.42°C (estimate)

Boiling Point：

72 °C @ Press: 25 Torr

Flash Point：

138 °F

Refractive Index：

n20/D 1.418(lit.)

Water Solubility：

4.282g/L(25 ºC)

Vapor Density：

>1 (vs air)

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H226-H315-H319-H335

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1465 companies from 6 notifications to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

3-methyl-1-pentanol

3-Methyl-1-pentanol Use and Manufacturing

Manufacturing Info：

1-Pentanol, 3-methyl-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty alcohols [FA05]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:102.17
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:102.104465066
Monoisotopic Mass:102.104465066
Topological Polar Surface Area:20.2
Heavy Atom Count:7
Complexity:35.2
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 3-Methyl-1-pentanol

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
YRS

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3-Methyl-1-pentanol

CAS No.: 589-35-5

Content: 99.00%

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Guide of 3-Methyl-1-pentanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Methyl-1-pentanol

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