Basic information
- CAS
26532-25-2- Standard SMILES
CC1(C)CCC/C(=C\C=O)C1- InChIKey
TYHKWUGMKWVPDI-WEVVVXLNSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
See also: Grandlure III (annotation moved to).
Names & identifiers
- Preferred name
- Grandlure IV
- IUPAC
- (2E)-2-(3,3-dimethylcyclohexylidene)acetaldehyde
- English name
- GrandlureIII
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
Grandlure IV(E)-(3,3-Dimethylcyclohexylidene)acetaldehydeCaswell No. 087AAUNII-4LFI094SI94LFI094SI9EPA Pesticide Chemical Code 112403trans-3,3-DimethylcyclohexylideneethanalDTXSID6032512(E)-3,3-Dimethyl-delta1,alpha-cyclohexaneacetaldehydeAcetaldehyde, (3,3-dimethylcyclohexylidene)-, (2E)-Acetaldehyde, 2-(3,3-dimethylcyclohexylidene)-, (2E)-trans-3,3-Dimethyl-delta1,alpha-cyclohexaneacetaldehyde
Show more names
GrandlureIII(E)-3,3-Dimethylcyclohexylideneacetaldehyde€-(3,3-Dimethyl)-cyclohexylideneacetaldehyde[(E)-3,3-Dimethylcyclohexylidene]acetaldehydetrans-3,3-Dimethyl-Δ1,α-cyclohenaneacetaldehyde1-[(E)-Formylmethylene]-3,3-dimethylcyclohexane(E)-2-(3,3-Dimethylcyclohexylidene)acetaldehyde?
DIMETHYLCYCLOHEXYLIDENE)ACETALDEHYDE, (E)-(3,3-(E)-3,3-Dimethyl-.delta.1,.alpha.-cyclohexaneacetaldehydedelta1,alpha-Cyclohexaneacetaldehyde, 3,3-dimethyl-, (E)-trans-3,3-Dimethyl-.delta.1,.alpha.-cyclohexaneacetaldehydeAcetaldehyde, (3,3-dimethylcyclohexylidene)-, (E)-.delta.1,.alpha.-Cyclohexaneacetaldehyde, 3,3-dimethyl-, (E)-(E)-(3,3-Dimethylcyclohexylidene)ethanalAcetaldehyde, 3,3-dimethylcyclohexylidene-, E-
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Boiling point
- 226.6 · 226.6±9.0℃ (760 Torr)
- Density
- 0.955 · 0.955±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.4824 · 1.4824 (22℃)
- Flash point
- 95.6 · 95.6±11.0℃
- FDA UNII
- 4 LFI094SI9 · 4LFI094SI9
- EPA Substance Registry System
- (E)-(3,3-Dimethylcyclohexylidene)acetaldehyde (26532-25-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetaldehyde, 2-(3,3-dimethylcyclohexylidene)-, (2E)-: ACTIVE
Suppliers5 total
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…