Basic information
- CAS
6784-13-0- Standard SMILES
CC1=CCC(C(C)CC=O)CC1- InChIKey
VJYFMQREUJXCQV-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.1357652
Overview
Limonene aldehyde is a p-menthane monoterpenoid.
Names & identifiers
- Preferred name
- 3-Cyclohexene-1-propanal, beta,4-dimethyl-
- IUPAC
- 3-(4-methylcyclohex-3-en-1-yl)butanal
- English name
- beta,4-dimethylcyclohex-3-ene-1-propan-1-al
- Molecular formula
- C11H18O
- Molecular weight
- 166.26002
Names & synonyms
6784-13-03-(4-Methyl-3-cyclohexenyl)butanalEINECS 229-846-03-(4-Methylcyclohex-3-en-1-yl)butyraldehyde3-Cyclohexene-1-propanal, .beta.,4-dimethyl-3-Cyclohexene-1-propanal, beta,4-dimethyl-RefChem:5007823-(4-methylcyclohex-3-en-1-yl)butanalLimonene aldehydebeta,4-Dimethylcyclohex-3-ene-1-propan-1-al3-(1-methylcyclohexen-4-yl)-butyraldehyde3-[1-methylcyclohexen-4-yl]-butyraldehyde
Show more names
p-Menth-1-ene-9-carboxaldehydeβ,4-Dimethyl-3-cyclohexene-1-propanal3-Cyclohexene-1-propanal, β,4-dimethyl-β,4-dimethylcyclohex-3-ene-1-propan-1-albeta-4-Dimethylcyclohex-3-ene-1-propanal.beta.,4-dimethyl-3-Cyclohexene-1-propanal
LIMONENALbeta,4-Dimethyl-3-Cyclohexene-1-propanalSCHEMBL229476DTXSID1052379CHEBI:1718243-(4-methyl-3-cyclohexenyl)butyraldehyde3-(1-methylcyclohexen-4-yl)-butyr-aldehydeNS00012285
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Experimental & physicochemical properties
FragrancesFragrance Ingredient (.beta.,4-Dimethylcyclohex-3-ene-1-propan-1-al) -> IFRA transparency List
Boiling Point234.00 to 236.00 °C. @ 760.00 mm Hg
Physical DescriptionCBI
Physicochemical properties
- Boiling point
- 72 · 72-74 °C(Press: 1 Torr)
- Density
- 0.905 · 0.905±0.06 g/cm3(Predicted)
- Odor
- citrus green aldehydic herbal
- Odor Type
- citrus
- Water Solubility
- 86.1 mg/L · 86.1mg/L at 24℃
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 3.8 at · 3.8 at 25℃
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-propanal, .beta.,4-dimethyl- (6784-13-0)
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1409) of reports.
Warning
H317 (> 99.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1409 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 3-Cyclohexene-1-propanal, .beta.,4-dimethyl-
3-Cyclohexene-1-propanal, .beta.,4-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-propanal, .beta.,4-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 08-07-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20611
3-Cyclohexene-1-propanal, .beta.,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Sens. 1 (> 99.9%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- REACH Registrations
- Active
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesFragrance
Household ProductsInformation on 5 consumer products that contain Beta,4-Dimethyl-3-Cyclohexene-1-Propanal in the following categories is provided:
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclohexene-1-propanal, .beta.,4-dimethyl-: ACTIVE
Suppliers8 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
康迪斯化工(湖北)有限公司13343438265 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
天津丹骏国际贸易有限公司15822601686 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
11 records
Compound notes
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