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3-(Hydroxymethyl)octan-2-one, also known as 3-(Hydroxymethyl)-2-octanone, is an organic compound with a musty-herbaceous, sweet, and slightly earthy odor. It can be synthesized by condensing methyl hexyl ketone with formaldehyde, followed by hydrogenation. 3-(hydroxymethyl)octan-2-one is characterized by its unique chemical properties and versatile applications across various industries.

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  • 59191-78-5 Structure
  • Basic information

    1. Product Name: 3-(hydroxymethyl)octan-2-one
    2. Synonyms: 3-(hydroxymethyl)octan-2-one;2-Octanone, 3-(hydroxymethyl)-
    3. CAS NO:59191-78-5
    4. Molecular Formula: C9H18O2
    5. Molecular Weight: 158.23802
    6. EINECS: 261-652-1
    7. Product Categories: N/A
    8. Mol File: 59191-78-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 245℃
    3. Flash Point: 101℃
    4. Appearance: /
    5. Density: 0.919
    6. Vapor Pressure: 0.00484mmHg at 25°C
    7. Refractive Index: 1.442
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: 3-(hydroxymethyl)octan-2-one(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-(hydroxymethyl)octan-2-one(59191-78-5)
    12. EPA Substance Registry System: 3-(hydroxymethyl)octan-2-one(59191-78-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 59191-78-5(Hazardous Substances Data)

59191-78-5 Usage

Uses

Used in the Flavor and Fragrance Industry:
3-(Hydroxymethyl)octan-2-one is used as a flavoring agent for its musty-herbaceous, sweet, and slightly earthy odor. It adds depth and complexity to the fragrances and flavors in various products, such as perfumes, colognes, and food items.
Used in the Pharmaceutical Industry:
3-(Hydroxymethyl)octan-2-one is used as an intermediate in the synthesis of various pharmaceutical compounds. Its unique chemical structure allows for the development of new drugs with potential therapeutic applications.
Used in the Chemical Synthesis Industry:
3-(Hydroxymethyl)octan-2-one serves as a versatile building block for the synthesis of other organic compounds. Its reactivity and functional groups make it a valuable starting material for creating a wide range of chemical products.
Used in the Cosmetics Industry:
3-(Hydroxymethyl)octan-2-one is used as a fragrance ingredient in the cosmetics industry. Its musty-herbaceous, sweet, and slightly earthy odor contributes to the overall scent profile of various cosmetic products, such as lotions, creams, and shampoos.

Preparation

By condensation of methyl hexyl ketone with formaldehyde, followed by hydrogenation.

Check Digit Verification of cas no

The CAS Registry Mumber 59191-78-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,1,9 and 1 respectively; the second part has 2 digits, 7 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 59191-78:
(7*5)+(6*9)+(5*1)+(4*9)+(3*1)+(2*7)+(1*8)=155
155 % 10 = 5
So 59191-78-5 is a valid CAS Registry Number.
InChI:InChI=1/C9H18O2/c1-3-4-5-6-9(7-10)8(2)11/h9-10H,3-7H2,1-2H3

59191-78-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(hydroxymethyl)octan-2-one

1.2 Other means of identification

Product number -
Other names LS-2826

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Food additives -> Flavoring Agents
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:59191-78-5 SDS

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