(1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde is a chiral organic compound with the molecular formula C9H14O. It is a bicyclic aldehyde, featuring a six-membered ring with two carbon atoms replaced by a single bond, resulting in a three-membered ring. The compound has two methyl groups attached to the carbon atoms at positions 5 and 5, and a formyl group (-CHO) at the 1-position. The stereochemistry of the compound is defined by the (1S,4S) configuration, indicating that the hydroxyl group at the 1st carbon and the hydrogen at the 4th carbon are on the same side of the molecule when viewed from the perspective of the aldehyde group. (1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde is known for its unique scent and is used in the fragrance industry, particularly in the creation of synthetic pine and citrus scents. It is also used in the synthesis of various pharmaceuticals and agrochemicals due to its reactive aldehyde group and rigid bicyclic structure.
1004-46-2
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Basic information
- Product Name: (1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde
- Synonyms:
- CAS NO:1004-46-2
- Molecular Formula:
- Molecular Weight: 138.21
- EINECS: N/A
- Product Categories: N/A
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: N/A
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: (1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde(CAS DataBase Reference)
- NIST Chemistry Reference: (1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde(1004-46-2)
- EPA Substance Registry System: (1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde(1004-46-2)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 1004-46-2(Hazardous Substances Data)
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Check Digit Verification of cas no
The CAS Registry Mumber 1004-46-2 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,0 and 4 respectively; the second part has 2 digits, 4 and 6 respectively.Calculate Digit Verification of CAS Registry Number 1004-46:
(6*1)+(5*0)+(4*0)+(3*4)+(2*4)+(1*6)=32
32 % 10 = 2
So 1004-46-2 is a valid CAS Registry Number.
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(1S,4S)-5,5-Dimethyl-bicyclo[2.1.1]hexane-1-carbaldehyde
