6-Methyl-3-cyclohexene-1-carboxaldehyde
Basic information
- CAS
89-94-1- Standard SMILES
CC1CC=CCC1C=O- InChIKey
BOPCAWBPVSVBMM-UHFFFAOYSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- 6-Methyl-3-cyclohexene-1-carboxaldehyde
- IUPAC
- 6-methylcyclohex-3-ene-1-carbaldehyde
- English name
- 6-methylcyclohex-3-enecarbaldehyde
- Molecular formula
- C8H12O
- Molecular weight
- 124.18
Names & synonyms
89-94-16-Methyl-3-cyclohexene-1-carboxaldehyde3-Cyclohexene-1-carboxaldehyde, 6-methyl-2-Methyl-1,2,3,6-tetrahydrobenzaldehydeAI3-21662EINECS 201-953-72-Methyl-4-cyclohexene-1-carboxaldehyde4-Cyclohexene-1-carboxaldehyde, 2-methyl-UNII-FCU8G03Q8AFCU8G03Q8ADTXSID508832696-Methyl-3-cyclohexenecarboxaldehyde
Show more names
RefChem:104992DTXCID5010228126-METHYL-DELTA3-TETRAHYDROBENZALDEHYDE6-METHYL-.DELTA.3-TETRAHYDROBENZALDEHYDE201-953-76-methylcyclohex-3-ene-1-carbaldehyde6-Methylcyclohex-3-enecarbaldehydeMFCD01735052
Database identifiers
- CAS
89-94-1- PubChem CID
- 101550
- DTXSID
DTXSID50883269- EC Number
- 201-953-7
- Nikkaji
- J34.012J
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
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- -38.9 °C · -38.9°C
- Boiling point
- 190.99 °C · 190.99°C (rough estimate)
- Density
- 0.9381 · 0.9381 (rough estimate)
- refractive index
- 1.5 · 1.5000 (estimate)
- LogP
- 2.08 · 2.080 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 G03Q8A · FCU8G03Q8A
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carboxaldehyde, 6-methyl- (89-94-1)
- Symbol(GHS)
- 8 · GHS08,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H334
- Precautionary statements
- 261 · P261-P285-P304+P341-P342+P311-P501-P280-P305+P351+P338-P310
- TSCA
- TSCA listed
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
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P233, P260, P264+P265, P271, P280, P284, P304+P340, P305+P354+P338, P317, P342+P316, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS05
- Hazard statements
- H318-H334
- Precautionary statements
- P261-P285-P304+P341-P342+P311-P501-P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde, 6-methyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
Loading…