Results for:
PubChem ID: 11512

4-methylheptane

Mass-Spectra

Compound Details

Synonymous names
4-METHYLHEPTANE
589-53-7
Heptane, 4-methyl-
4-methyl-heptane
N6BX267ALB
NSC-73953
EINECS 209-650-1
NSC 73953
4-Methylheptane, 99%
UNII-N6BX267ALB
(n-C3H7)2CHCH3
DTXSID6060428
CHBAWFGIXDBEBT-UHFFFAOYSA-
CHEBI:67193
NSC73953
LMFA11000608
MFCD00009409
AKOS015841798
LS-13529
DB-053294
M0520
NS00022437
D91347
Q2816677
InChI=1/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
Microorganism:

Yes

IUPAC name4-methylheptane
SMILESCCCC(C)CCC
InchiInChI=1S/C8H18/c1-4-6-8(3)7-5-2/h8H,4-7H2,1-3H3
FormulaC8H18
PubChem ID11512
Molweight114.23
LogP4.3
Atoms8
Bonds4
H-bond Acceptor0
H-bond Donor0
Chemical Classificationalkanes saturated hydrocarbons
CHEBI-ID67193
Supernatural-IDSN0045562

mVOC Specific Details

Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas ProtegensNAMannaa et al. 2018
ProkaryotaStaphylococcus EpidermidisAmerican Type Culture CollectionJenkins and Bean 2020
EukaryotaAscocoryne Sarcoidesn/aNAMallette et al.  2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas Protegenstryptic soy broth (TSB)gastight syringe, GC-MSno
ProkaryotaStaphylococcus EpidermidisBHI mediaHS-SPME/GC×GC-TOFMSno
EukaryotaAscocoryne SarcoidesMinimal mediumPTR-MS and SPME GC-MSno