Basic information
- CAS
93894-29-2- Standard SMILES
CC(CCCC(C)(C)O)CC(OCCc1ccccc1)OCCc1ccccc1- InChIKey
BZYVVVVWNQNWHX-UHFFFAOYSA-N- Molecular formula
- C26H38O3
- Average molar mass
- 398.6 g/mol
- Monoisotopic mass
- 398.28209507
Names & identifiers
- Preferred name
- 2,6-Dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol
- IUPAC
- 2,6-dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol
- English name
- 2,6-dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol
- Molecular formula
- C26H38O3
- Molecular weight
- 398.57812
Names & synonyms
2,6-Dimethyl-8,8-bis(2-phenylethoxy)octan-2-ol93894-29-2EINECS 299-726-0DTXSID60917246RefChem:445705DTXCID501346206299-726-0BZYVVVVWNQNWHX-UHFFFAOYSA-NNS00062983Hydroxycitronellal diphenethyl acetal7-Hydroxy-3,7-dimethyloctanal diphenethyl acetal
Database identifiers
- CAS
93894-29-2- PubChem CID
- 3022845
- DTXSID
DTXSID60917246- EC Number
- 299-726-0
- Nikkaji
- J151.519E
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 317 · H317-H400-H410
- Precautionary statements
- 273 · P273-P391-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1B (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- Hazard statements
- H317-H400-H410
- Precautionary statements
- P273-P391-P501-P273-P391-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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