Abieta-7,13-dien-18-oyl chloride
Basic information
- CAS
56151-64-5- Standard SMILES
CC(C)C1=CC2=CCC3C(C)(C(=O)Cl)CCCC3(C)C2CC1- InChIKey
DUUZGQPIIHHAPA-UHFFFAOYSA-N- Molecular formula
- C20H29ClO
- Average molar mass
- 320.9 g/mol
- Monoisotopic mass
- 320.1906932
Names & identifiers
- Preferred name
- Abieta-7,13-dien-18-oyl chloride
- IUPAC
- 1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carbonyl chloride
Names & synonyms
56151-64-57-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carbonyl chlorideabieta-7,13-dien-18-oyl chlorideEINECS 260-024-4DTXSID10971530DUUZGQPIIHHAPA-UHFFFAOYSA-N(1R(1alpha,4abeta,4balpha,10aalpha))-1,2,3,4,4a,4b,5,6,10,10a-Decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carbonyl chlorideNS00054678
Database identifiers
- CAS
56151-64-5- PubChem CID
- 92034
- DTXSID
DTXSID10971530- EC Number
- 260-024-4
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 544
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
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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