Basic information
- CAS
67801-65-4- Standard SMILES
CC1=CCC(C)C(C=O)C1- InChIKey
YLGCZMOAYIGIPX-UHFFFAOYSA-N- Molecular formula
- C9H14O
- Average molar mass
- 138.21 g/mol
- Monoisotopic mass
- 138.10446507
Names & identifiers
- Preferred name
- 3,6-Dimethyl-3-cyclohexene carboxaldehyde
- IUPAC
- 3,6-dimethylcyclohex-3-ene-1-carbaldehyde
- English name
- 3,6-dimethylcyclohex-3-ene-1-carbaldehyde
- Molecular formula
- C9H14O
- Molecular weight
- 138.21
Names & synonyms
3,6-Dimethylcyclohex-3-ene-1-carbaldehyde67801-65-43,6-Dimethyl-3-cyclohexene-1-carboxaldehyde3,6-ivy carbaldehydeUNII-ZRP3G6XO6VZRP3G6XO6V3,6-Dimethyl-3-cyclohexene carboxaldehyde3-Cyclohexene-1-carboxaldehyde, 3,6-dimethyl-EINECS 267-186-5NSC-26486DTXSID1052377NSC 26486
Show more names
Vertoliff3,6-Dimethylcyclohex-3-en-1-carbaldehyd3,6-Dimethyl-3-cyclohexene-1-carbaldehyde3,6-DIMETHYL-3-CYCLHEXENE-1-CARBOXALDEHYDE3,6-Dimethylcyclohexa-3-ene-1-carbaldehyde3(4),6-dimethylcyclohex-3-ene-1-carbaldehyde
FEMA NO. 4505, 3,6-DIMETHYL-.DELTA.3-CYCLOHEXENEALDEHYDE, 3,6-DIMETHYL-RefChem:198124DTXCID1030949DELTA3-CYCLOHEXENEALDEHYDE, 3,6-DIMETHYL-(+-)-3,6-DIMETHYL-3-CYCLOHEXENE CARBOXALDEHYDEcyclovertalNSC26486
Database identifiers
- CAS
67801-65-4- PubChem CID
- 95644
- DTXSID
DTXSID1052377- UNII
- ZRP3G6XO6V
- EC Number
- 267-186-5
- Nikkaji
- J317.172H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
Experimental & physicochemical properties
FragrancesFragrance Ingredient (3,6-Dimethyl-3-cyclohexene-1-carboxaldehyde) -> IFRA transparency List
Physical DescriptionLiquid
Physicochemical properties
- Boiling point
- 92 · 92-93 °C(Press: 25 Torr)
- Density
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- Odor
- 10 % · at 10.00 % in dipropylene glycol. green tart citrus herbal cortex aldehydic
- Odor Type
- green
- Cosmetics Ingredients Functions
- PERFUMING
- LogP
- 2.67 · 2.67
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 G6XO6V · ZRP3G6XO6V
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carboxaldehyde, 3,6-dimethyl- (67801-65-4)
- Symbol(GHS)
- 7 · GHS07,GHS09
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317: 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)
Warning
H302 (99.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 3,6-dimethyl-
3-Cyclohexene-1-carboxaldehyde, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Cyclohexene-1-carboxaldehyde, 3,6-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)
3,6-dimethyl-3-Cyclohexene-1-carboxaldehyde: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Acute Tox. 4 (99.3%)
Skin Sens. 1B
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H302-H411-H315-H317
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 483,052 lb
Consumer UsesFragrance
Industry UsesFragrance
Use ClassificationFragrance Ingredients
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
3-Cyclohexene-1-carboxaldehyde, 3,6-dimethyl-: ACTIVE
Suppliers20 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
BOC Sciences[email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
武汉柔博医药化工有限公司027-027-87827088 18986164924 · [email protected]
上海帅燊实业有限公司021-37590756 57450129
天津丹骏国际贸易有限公司15822601686 · [email protected]
上海鼎芬化学科技有限公司021-37590756 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…