Lauraldehyde - ≥95%, contains 250ppm BHT as stabilizer , CAS No.112-54-9

CAS: 112-54-9 Cat. No.: L105454 Formula: C₁₂H₂₄O Molecular Weight: 184.32 Beilstein Registry Number: 1703917 EC Number: 203-983-6

GRADE & PURITY ≥95%, contains 250ppm BHT as stabilizer

Synonyms

Lauric aldehyde, analytical standard | NSC55212 | NSC-55212 | Lauric aldehyde, natural, >=95%, FG | C42O120SEF | LMFA06000071 | MFCD00007017 | D77654 | FT-0625567 | 4-01-00-03380 (Beilstein Handbook Reference) | EN300-72275 | Lauryl aldehyde | n-Dodecylic

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description
Lauric aldehyde is one of the main aliphatic green volatile compounds in macerated grape cluster stems. It is also one of the key flavor constituents of grapefruit oil.
Application

Dodecyl aldehyde is used as a fragrance agent. It is used as a common ingredient in perfumery. It's end applications include soap, detergent, beauty care product, household product.

Specifications

Synonyms

Lauric aldehyde, analytical standard | NSC55212 | NSC-55212 | Lauric aldehyde, natural, >=95%, FG | C42O120SEF | LMFA06000071 | MFCD00007017 | D77654 | FT-0625567 | 4-01-00-03380 (Beilstein Handbook Reference) | EN300-72275 | Lauryl aldehyde | n-Dodecylic

Specifications & Purity

≥95%, contains 250ppm BHT as stabilizer

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid

508812564

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508812564

Canonical Smiles

CCCCCCCCCCCC=O

IUPAC Name

dodecanal

InChIKey

HFJRKMMYBMWEAD-UHFFFAOYSA-N

INCHI

1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

Isomeric SMILES

CCCCCCCCCCCC=O

WGK Germany

3

RTECS

JR1910000

UN Number

1988

Molecular Weight

184.32

Beilstein

1703917

Reaxy-Rn

1703917

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1703917&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Medium-chain aldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes
• Direct Parent: Medium-chain aldehydes
• Alternative Parents: Alpha-hydrogen aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain aldehyde - Alpha-hydrogen aldehyde - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
• External Descriptors: a fatty aldehyde

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in chloroform, methanol, alcohol, and propylene glycol. Insoluble in glycerol and water.
• Sensitivity: Heat & Air sensitive.
• Refractive Index: 1.433-1.44
• Flash Point(°C): 82 °C
• Boil Point(°C): 185°C
• Melt Point(°C): 12°C
• Molecular Weight: 184.320 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 10
• Exact Mass: 184.183 Da
• Monoisotopic Mass: 184.183 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 99.300
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1