Results for:
PubChem ID: 638011

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

Mass-Spectra

Compound Details

Synonymous names
geranialdehyde
Geranaldehyde
Genanial
GERANIAL
WTEVQBCEXWBHNA-JXMROGBWSA-N
Citral
CITRAL SINTETICO
geranal
lemonal
beta-Geranial
CITRAL NATURAL
Natural Citral
AC1LCVGF
alpha-Citral
Citral alpha
litsea cubeba oil terpeneless
trans-Citral
Citral, analytical standard
Lemarome n
Lemsyn GB
AC1Q1NUZ
AC1Q6POW
cis,trans-Citral
Citral a
citral-b
Z-Citral
UNII-T7EU0O9VPP component WTEVQBCEXWBHNA-JXMROGBWSA-N
cis/trans Citral;
Citral (natural)
GTPL6327
.alpha.-Citral
3,6-octadienal
NSC6170
SCHEMBL23073
(E)-Geranial
HSDB 993
(E)-Citral
(E)-Neral
Citral, 95%
LS41486
RP21648
758ZMW724E
C01499
C15604
CCRIS 1043
Citral Ex Litsea(Citral )
AK116645
BBL011666
CHEMBL1080997
Citral, mixture of cis and trans
FEMA Number 2303
LP073605
NSC 6170
NSC-6170
OR011136
OR264090
SBB060834
STK802499
A829835
CHEBI:16980
CHEBI:23316
NCI-C56348
UNII-758ZMW724E
ZINC1529208
3,2,6-octadienal
AJ-26578
AN-21095
AN-23205
Caswell No. 221B
Citral, cis + trans
CJ-05166
CJ-23866
EBD2204555
LS-97778
SC-26888
STOCK1N-24160
TL8003535
WLN: VH1UY1&3Y1&U1
MFCD00006997
ZINC01529208
AI3-01011
AI3-28519
KB-234385
RTR-037028
ST24028249
ST50308094
TR-037028
AKOS000119519
EPA Pesticide Chemical Code 040510
Q-200867
S14-1149
BRN 1721871
BRN 1721873
FEMA No. 2303
FT-0623954
FT-0623981
LMPR0102010003
3,7-Dimethyl-2,6-octadienal
3,7-dimethylocta-2,6-dienal
141-27-5
F0001-1403
3,7-Dimethyl-trans-2,6-octadienal
trans-3,7-Dimethyl-2,6-octadienal
5392-40-5
8022-94-4
cis-3,7-Dimethyl-2,6-octadienal
NCGC00091550-01
NCGC00091550-02
NCGC00091550-03
NCGC00091550-04
3,7- dimethylocta-2,6-dienal
cis/trans-3,7-Dimethyl-2,6-octadienal
Citral, Vetec(TM) reagent grade, 94%
EINECS 205-476-5
EINECS 226-394-6
37350-34-8
96680-15-8
2,6-Dimethyloctadien-2,6-al-8
3,7-Dimethyl-1,2,6-octadienal
147060-73-9
250599-19-0
433282-33-8
Citral, natural, >=96%, FCC, FG
MolPort-001-783-112
MolPort-003-909-614
1392408-16-0
Citral, mixture of cis and trans, >=96%, FG
(E)-3,7-Dimethyl-2,6-octadienal
(E)-3,7-Dimethylocta-2,6-dienal
(Z)-3,7-Dimethyl-2,6-octadienal
(2E)-3,7-dimethylocta-2,6-dienal
(2Z)-3,7-Dimethyl-2,6-octadienal
(2E)-3,7-dimethyl-octa-2,6-dienal
2,6-Octadienal,3,7-dimethyl-, reaction products with Et alc.
3-01-00-03053 (Beilstein Handbook Reference)
4-01-00-03569 (Beilstein Handbook Reference)
(2E)-3,7-dimethyl-2,6-octadien-1-al
2,6-Octadienal, 3,7-dimethyl-, (E)-
2,6-Octadienal, 3,7-dimethyl-, (2E)-
InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7
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
Molweight152.237
LogP2.66
Atoms27
Bonds26
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationTerpenes aldehydes

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiGanoderma Lucidumnasaprophytic on deciduous treesZiegenbein et al., 2006
FungiGleophyllum OdoratumnaSachsenwald near HamburgRösecke et al., 2000
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiGanoderma LucidumnaGC/MSNo
FungiGleophyllum OdoratumnaGC/MSNo