3-Cyclohexene-1-acetaldehyde, α,4-dimethyl-

Formula: C₁₀H₁₆O
Molecular weight: 152.2334
IUPAC Standard InChI: InChI=1S/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3
IUPAC Standard InChIKey: UMEJBWOWZDRULR-UHFFFAOYSA-N
CAS Registry Number: 29548-14-9
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5)
Species with the same structure:
Other names: α,4-Dimethyl-3-cyclohexene-1-acetaldehyde; p-Menth-1-en-9-al; 1-p-Menthen-9-al; 2-(4-Methyl-3-cyclohexen-1-yl)propanal; α,4-Dimethyl-3-cyclohexen-1-acetaldehyde; 1-p-Menthene-9-al; Carvomenthenal; p-Menth-1-en-9-al (Isomer 2); p-Menth-1-en-9-al (Isomer 1); p-Menth-1-en-9-al, isomer; α,4-dimethylcyclohex-3-ene-1-acetaldehyde
Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
Options:
- Switch to SI units

Normal alkane RI, non-polar column, custom temperature program

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	Polydimethyl siloxane with 5 % Ph groups	Polydimethyl siloxane with 5 % Ph groups	DB-5	DB-5	HP-5
Column length (m)			60.	60.	30.
Carrier gas			Helium	Helium	Helium
Substrate
Column diameter (mm)			0.25	0.25	0.32
Phase thickness (μm)			1.00	1.00	0.25
Program	not specified	not specified	40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)	40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min)	not specified
I	1217.	1229.	1231.	1234.	1217.
Reference	Robinson, Adams, et al., 2012	Robinson, Adams, et al., 2012	Miyazaki, Plotto, et al., 2011	Miyazaki, Plotto, et al., 2011	Kucuk, Gulec, et al., 2006
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D., Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data), Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023 . [all data]

Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G., Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance, J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205 . [all data]

Kucuk, Gulec, et al., 2006
Kucuk, M.; Gulec, C.; Yasar, A.; Ucuncu, O.; Yayh, N.; Coskuncelebi, K.; Terzioglu, S.; Yayh, N., Chemical composition and antimicrobial activities of the essential oils of Teucrium chamaedrys subsp. chamaedrys, T. orientale var. puberulens, and T. chamaedrys subsp. lydium, Pharm. Biol., 2006, 44, 8, 592-599, https://doi.org/10.1080/13880200600896868 . [all data]

Bastos, Franco, et al., 2002
Bastos, D.H.M.; Franco, M.R.B.; da Silva, M.A.A.P.; Janzantti, N.S.; Marques, M.O.M., Volatile composition and aroma and flavor profiles of eucalyptus and orange honeys, Cienc. Tecnol. Aliment., 2002, 22, 2, 122-129, https://doi.org/10.1590/S0101-20612002000200004 . [all data]

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.