Hexanoic acid, ester with 1,2,3-propanetriol
Basic information
- CAS
11139-91-6- Standard SMILES
CCCCCC(=O)O.OCC(O)CO- InChIKey
YEAZPMHWNDZTLC-UHFFFAOYSA-N- Molecular formula
- C9H20O5
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.13107373
Names & identifiers
- Preferred name
- Hexanoic acid, ester with 1,2,3-propanetriol
- IUPAC
- hexanoic acid;propane-1,2,3-triol
- English name
- Hexanoic acid, ester with 1,2,3-propanetriol
- Molecular formula
- C9H20O5
- Molecular weight
- 208.2521
Names & synonyms
Hexanoic acid, ester with 1,2,3-propanetriol11139-91-6EINECS 234-396-3DTXSID50149635RefChem:787416DTXCID2072126234-396-326402-23-3Hexanoic acid, monoester with 1,2,3-propanetriolNSC57384SCHEMBL2778657hexanoic acid;propane-1,2,3-triol
Show more names
NSC-57384Hexanoic acid--propane-1,2,3-triol (1/1)
Database identifiers
- CAS
11139-91-6、26402-23-3- PubChem CID
- 168531
- DTXSID
DTXSID50149635- EC Number
- 234-396-3
Properties
Computed structural properties
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 94.1
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (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 Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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