1,3-Nonanediol, 1,3-diacetate
Basic information
- CAS
59970-21-7- Standard SMILES
CCCCCCC(CCOC(C)=O)OC(C)=O- InChIKey
XUVKIVFZTRZJRP-UHFFFAOYSA-N- Molecular formula
- C13H24O4
- Average molar mass
- 244.33 g/mol
- Monoisotopic mass
- 244.16745924
Names & identifiers
- Preferred name
- 1,3-Nonanediol, 1,3-diacetate
- IUPAC
- 3-acetyloxynonyl acetate
- English name
- nonane-1,3-diyl diacetate
- Molecular formula
- C13H24O4
- Molecular weight
- 244.33
Names & synonyms
Nonane-1,3-diyl diacetate1,3-Nonanediol, diacetate63270-14-41,3-Nonanediol, 1,3-diacetateEINECS 264-060-159970-21-7DTXSID10866997DTXSID40276121RefChem:415386DTXCID40815216DTXCID80227470264-060-1
Show more names
1,3-Nonanedioldiacetate
3-acetyloxynonyl acetate1,3-NONANE DIACETATE1,3-nonane diyl diacetateJ4MC6KVH7USCHEMBL1716482XUVKIVFZTRZJRP-UHFFFAOYSA-NDB-321238NS00056443
Database identifiers
- CAS
59970-21-7、63270-14-4- PubChem CID
- 112635
- DTXSID
DTXSID10866997- UNII
- J4MC6KVH7U
- EC Number
- 264-060-1
- Nikkaji
- J36.591B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 225
Experimental & physicochemical properties
FragrancesFragrance Ingredient (1,3-Diacetoxynonane) -> IFRA transparency List
Physicochemical properties
- LogP
- 3.461 · 3.461 (est)
- EPA Substance Registry System
- 1 · 1,3-Nonanediol, diacetate (63270-14-4)
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
This chemical does not meet GHS hazard criteria for 100% (80 of 80) of all reports.
Not Classified
Aggregated GHS information provided per 80 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 1,3-Nonanediol, diacetate
REACH registered substance: Nonane-1,3-diyl diacetate (EC: 264-060-1)
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
Use ClassificationFragrance Ingredients
General Manufacturing Information1,3-Nonanediol, 1,3-diacetate: ACTIVE
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…