 Home > Encyclopedia > 4-Methyl-1-pentanol

4-Methyl-1-pentanol

4-Methyl-1-pentanol structure

CAS No:
626-89-1
Formula:
C6H14O
Chemical Name:
4-Methyl-1-pentanol
Synonyms:
1-Pentanol,4-methyl-;Isohexyl alcohol;4-Methyl-1-pentanol;iso-Hexanol;2-Methyl-5-pentanol;Isohexanol;NSC 91492;Anglamol 6085U;4-Methylamyl alcohol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

clear colorless liquid

4-methylpentan-1-ol is a primary alcohol that is pentan-1-ol bearing an additional methyl substituent at position 4. It has a role as a metabolite. It is a primary alcohol and an alkyl alcohol.

4-Methyl-1-pentanol Basic Attributes

Molecular Weight：

102.177

Exact Mass：

102.17

EC Number：

210-969-3

UNII：

X796XFP7D4

NSC Number：

91492

DSSTox ID：

DTXSID0044313

Characteristics

PSA：

20.2

XLogP3：

1.41490

Appearance：

colorless clear liquid

Density：

0.8156 g/cm³ @ Temp: 20 °C

Melting Point：

-48.42°C (estimate)

Boiling Point：

151.9 °C

Flash Point：

125 °F

Refractive Index：

n20/D 1.414(lit.)

Water Solubility：

10.42g/L(20 ºC)

Storage Conditions：

Flammables area

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 1987 3/PG 3

wgk germany：

hazard class code：

R10;R37

safety instructions：

S24/25-S16

RTECS Number：

NR3020000

Marks：

Xi: Irritant;

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H226

GHS Classification：

|Danger|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P311, P312, P321, P322, P330, P361, P363, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 49 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

4-Methyl-1-pentanol Use and Manufacturing

Uses

4-Methyl-1-pentanol is used as a cosmetic compound with an antimicrobial effect especially deodorants.

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:102.17
XLogP3:1.6
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:33.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 4-Methyl-1-pentanol

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

4-Methyl-1-pentanol

CAS No.: 626-89-1

Content: 99.00%

Inquiry