Basic information
- CAS
50816-19-8- Standard SMILES
OCCCCCCCCBr- InChIKey
GMXIEASXPUEOTG-UHFFFAOYSA-N- Molecular formula
- C8H17BrO
- Average molar mass
- 209.12 g/mol
- Monoisotopic mass
- 208.04627726
Names & identifiers
- Preferred name
- 1-Octanol, 8-bromo-
- IUPAC
- 8-bromooctan-1-ol
- English name
- 8-Bromo-1-octanol
- Molecular formula
- C8H17BrO
- Molecular weight
- 209.12
Names & synonyms
8-Bromo-1-octanol50816-19-81-Octanol, 8-bromo-EINECS 256-785-7DTXSID4068589RefChem:76771DTXCID0040917GMXIEASXPUEOTG-UHFFFAOYSA-N8-Bromooctan-1-ol8-BromooctanolOctamethylene bromohydrinMFCD00010388
Show more names
S,10008-bromo-1-octano8-Bromo-1-actanol8-BroMo-1-oCLanol1-bromo-octan-8-ol
C8H17BrO8-bromo-octan-1-ol8-Bromo-1-octanol, 95%GEO-04211AS-19044BP-26140SY0194658-bromooctane-1-ol
Database identifiers
- CAS
50816-19-8- PubChem CID
- 162607
- DTXSID
DTXSID4068589- EC Number
- 256-785-7
- Nikkaji
- J422.550C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 57.2
Physicochemical properties
- Boiling point
- 79 · 79-80 °C/0.07 mmHg (lit.)
- Density
- 1.22 g/mL · 1.22 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.480(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Sparingly), Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 15.19 · 15.19±0.10(Predicted)
- color
- Colourless
- Specific Gravity
- 1.22 · 1.22
- BRN
- 1900837 · 1900837
- InChI
- InChI=1S/C8H17BrO/c9-7-5-3-1-2-4-6-8-10/h10H,1-8H2
- InChIKey
- GMXIEASXPUEOTG-UHFFFAOYSA-N
- SMILES
- C(O)CCCCCCCBr
- CAS DataBase Reference
- 50816 · 50816-19-8(CAS DataBase Reference)
- NIST Chemistry Reference
- 8 · 8-Bromo-1-octanol(50816-19-8)
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
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- PPE
- Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29055900
- risk_code
- 36-38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 23-24/25-37-26
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Octanol, 8-bromo-: ACTIVE
Applications
UsesIt is used to produce 8-phenylselanyl-octan-1-ol by reaction with diphenyl-diselane. The reaction occurs with reagent sodium borohydride and solvent ethanol at ambient temperature. The yield is about 96%. 8-Bromo-1-octanol was used in the synthesis of (E)-10-hydroxy-2-decenoic acid (royal jelly acid)1. It was also used in the synthesis of (Z)-14-methyl-9-pentadecenoic acid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
62 records
Compound notes
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