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Substance Name: 3-Methylhexanal
RN: 19269-28-4
UNII: XUF7U8UTGI
InChIKey: ZSJUABCTGCNBPF-UHFFFAOYSA-N

Molecular Weight

  • 114.187
 
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Names and Synonyms

Name of Substance

  • 3-Methylhexanal

Synonym

  • UNII-XUF7U8UTGI

Systematic Name

  • 3-Methylhexanal

Registry Numbers

CAS Registry Number

  • 19269-28-4

FDA UNII

  • XUF7U8UTGI

System Generated Number

  • 0019269284

Structure Descriptors

InChI

1S/C7H14O/c1-3-4-7(2)5-6-8/h6-7H,3-5H2,1-2H3

InChIKey

ZSJUABCTGCNBPF-UHFFFAOYSA-N

Smiles

O=CC[C@@H](CCC)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 143 deg C   EXP
log P (octanol-water) 2.220 (none)   EST
Atmospheric OH Rate Constant 3.38E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.