Basic information
- CAS
6513-49-1- Standard SMILES
CCCCOc1ccccc1CO- InChIKey
XHMKGDUAGDFSHL-UHFFFAOYSA-N- Molecular formula
- C11H16O2
- Average molar mass
- 180.24 g/mol
- Monoisotopic mass
- 180.11502975
Names & identifiers
- Preferred name
- o-Butoxybenzyl alcohol
- IUPAC
- (2-butoxyphenyl)methanol
- English name
- (2-butoxyphenyl)methanol
- Molecular formula
- C11H16O2
- Molecular weight
- 180.24
Names & synonyms
6513-49-1Benzenemethanol, 2-butoxy-o-Butoxybenzyl alcohol2-Butoxybenzenemethanoln-Butyl ether of saligeninBENZYL ALCOHOL, o-BUTOXY-NSC 406752BRN 1869193AZG3Y8465DAI3-05756NSC-406752UNII-AZG3Y8465D
Show more names
2-butyloxybenzyl alcohol
DTXSID70215447(2-(BUTOXY)PHENYL)METHANOL2-06-00-00879 (Beilstein Handbook Reference)RefChem:202358DTXCID70137938Benzenemethanol, 2-butoxy-(9CI)(2-butoxyphenyl)methanol2-n-Butoxybenzyl alcohol
Database identifiers
- CAS
6513-49-1- PubChem CID
- 23014
- DTXSID
DTXSID70215447- UNII
- AZG3Y8465D
- EC Number
- 139-576-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Boiling point
- 118 °C · 118 °C(Press: 3 Torr)
- Density
- 1.019 · 1.019±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.10(Predicted)
- FDA UNII
- 3 Y8465D · AZG3Y8465D
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Related reactions
6 records
Compound notes
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