Results for:
PubChem ID: 638011

(2E)-3,7-dimethylocta-2,6-dienal

Mass-Spectra

Compound Details

Synonymous names
Citral
GERANIAL
5392-40-5
trans-Citral
(2E)-3,7-dimethylocta-2,6-dienal
141-27-5
3,7-dimethylocta-2,6-dienal
Citral a
geranialdehyde
alpha-Citral
(E)-Citral
geranal
Geranaldehyde
2,6-Octadienal, 3,7-dimethyl-
Lemsyn GB
Genanial
(E)-Geranial
beta-Geranial
(E)-3,7-Dimethylocta-2,6-dienal
147060-73-9
Citral alpha
3,7-Dimethyl-2,6-octadienal
(E)-Neral
Citral (natural)
2,6-Octadienal, 3,7-dimethyl-, (2E)-
Lemarome n
Caswell No. 221B
Citral-A
FEMA Number 2303
trans-3,7-Dimethyl-2,6-octadienal
NCI-C56348
2,6-Octadienal, 3,7-dimethyl-, (E)-
3,7-Dimethyl-trans-2,6-octadienal
(E)-3,7-Dimethyl-2,6-octadienal
FEMA No. 2303
CCRIS 1043
HSDB 993
UNII-T7EU0O9VPP
2,6-Dimethyloctadien-2,6-al-8
3,7-Dimethyl-1,2,6-octadienal
NSC 6170
EINECS 205-476-5
EINECS 226-394-6
(2e)-geranial
EPA Pesticide Chemical Code 040510
UNII-758ZMW724E
BRN 1721871
BRN 1721873
CITRAL GERANIAL
CHEBI:16980
AI3-01011
AI3-28519
758ZMW724E
T7EU0O9VPP
cis/trans-3,7-Dimethyl-2,6-octadienal
NSC6170
EC 205-476-5
EC 226-394-6
3-01-00-03053 (Beilstein Handbook Reference)
4-01-00-03569 (Beilstein Handbook Reference)
NSC-6170
trans-Citral = trans-3,7-Dimethyl-octa-2,6-dien-1-al
Citral, analytical standard
lemonal
DTXCID304836
cis,trans-Citral
DTXSID6024836
CITRAL NATURAL
Z-Citral
Natural Citral
CAS-5392-40-5
LEMAROME
CITRAL SINTETICO
MFCD00006997
alpha -Citral
Citral N
.alpha.-Citral
3,2,6-octadienal
(2E)-3,7-Dimethyl-2,6-octadienal
Citral, cis + trans
CITRAL PQ EXTRA
Citral, 95%
trans-Citral (Geranial)
CITRAL (MART.)
SCHEMBL23073
CITRAL GERANIAL [MI]
CITRAL (E109)
3,7-Dimethyl-2,6 octadienal
GTPL6327
CHEMBL1080997
2,6-Octadienal,3,7-dimethyl-
DTXSID20881217
CHEBI:137934
WLN: VH1UY1&3Y1&U1
HY-N7083
3,7-dimethyl-(e)-2,6-octadienal
Tox21_202093
Tox21_300095
BBL011666
STK802499
3,7-dimethyl-(2e)-2,6-octadienal
trans-3,7-dimethyl-octa-2,6-dienal
AKOS000119519
CCG-266236
Citral, natural, >=96%, FCC, FG
CS-W010948
LMPR0102010003
(2E)-3,7-dimethyl-octa-2,6-dienal
Citral 1000 microg/mL in Acetonitrile
Citral, Vetec(TM) reagent grade, 94%
NCGC00091550-01
NCGC00091550-02
NCGC00091550-03
NCGC00091550-04
NCGC00254026-01
NCGC00259642-01
AS-35309
(2E)-3,7-dimethyl-2,6-octadien-1-al
2,6- OCTADIENAL, 3,7-DIMETHYL-
NS00076551
S5138
2,6-OCTADIENAL, 3,7-DIMETHYL-(E)
EN300-20399
C01499
2-CIS-3,7-DIMETHYL-2,6-OCTADIEN-1-AL
A829835
Q410888
Q-200867
F0001-1403
Z104478042
2,6-Octadienal,3,7-dimethyl-,reaction products with et alc.
GRQ
Microorganism:

Yes

IUPAC name(2E)-3,7-dimethylocta-2,6-dienal
SMILESCC(=CCCC(=CC=O)C)C
InchiInChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
FormulaC10H16O
PubChem ID638011
Molweight152.23
LogP3
Atoms11
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationaldehydes terpenes
CHEBI-ID23316
Supernatural-IDSN0419383-01

mVOC Specific Details

Boiling Point
DegreeReference
229 °C peer reviewed
Volatilization
The Henry's Law constant for citral is estimated as 4.35X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that citral is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 28 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 12 days(SRC). Citral's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Citral is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 9.1X10-2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Soil Adsorption
The Koc of citral is estimated as 83(SRC), using a water solubility of 1,340 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that citral is expected to have high mobility in soil.
Literature: (1) Yalkowsky SH, Yan H; Handbook of Aqueous Solubility Data. CRC Press LLC, Boca Raton, FL p. 698 (2003) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
9.13X10-2 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver.3.12. Nov 30, 2004. Available from, as of Feb 7, 2007: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBrian alendronate supp.SPME/GC-MSno
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaGloeophyllum OdoratumnaGC/MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaSaccharomycopsis Vinisynthetic grape juiceHS-SPMEno
Saccharomyces Cerevisiaefermentation of mulberry wineHS-SPME-GC-MSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno
Enterobacter Cloacaetryptone soya broth (TSB) mediaTenax/GC/MSno
Klebsiella Oxytocatryptone soya broth (TSB) mediaTenax/GC/MSno