Basic information
- CAS
10297-09-3- Standard SMILES
C#CCCCCCC(=O)O- InChIKey
WJBHDZBQZOMDFF-UHFFFAOYSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Overview
7-octynoic acid is a medium-chain fatty acid.
Names & identifiers
- Preferred name
- 7-Octynoic acid
- IUPAC
- oct-7-ynoic acid
- English name
- 7-Octynoic acid
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
7-Octynoic acid10297-09-3DTXSID50415584RefChem:106497DTXCID20366433oct-7-ynoic acidMFCD19228078oct-7-ynoicacidSCHEMBL736613CHEBI:187270LMFA01030578ZB0196
Show more names
WJBHDZBQZOMDFF-UHFFFAOYSA-N
AKOS006381246AT11953AS-78123HY-69220SY028715CS-0006437EN300-121453LCWG005
Database identifiers
- CAS
10297-09-3- PubChem CID
- 5312700
- DTXSID
DTXSID50415584- ChEBI
CHEBI:187270- EC Number
- 838-602-8
- Nikkaji
- J193.313B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 141
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Melting point
- 19 °C · 19°C
- Boiling point
- 290.64 °C · 290.64°C (rough estimate)
- Density
- 1.045 · 1.0450 (rough estimate)
- refractive index
- 1.4502 · 1.4502
- solubility
- 150 mg/mL · DMSO: 150 mg/mL (1070.05 mM)
- form
- Liquid
- pka
- 4.74 · 4.74±0.10(Predicted)
- color
- Colorless to light pink
- Water Solubility
- 5 mg/mL · Water: 5 mg/mL (35.67 mM)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314-H335
- Precautionary statements
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H314-H335
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Applications
Uses7-Octynoic acid (compound 42) is a PROTAC linker and can be used in the synthesis of a series of PROTACs. PROTACs contain two different ligands connected by a linker; one is a ligand for an E3 ubiquitin ligase and the other is for the target protein. PROTACs exploit the intracellular ubiquitin-proteasome system to selectively degrade target proteins[1]. 7-Octynoic acid is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
Upstream & downstream products
Downstream products
Suppliers61 total
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
西安华瑞致远生物科技有限公司18014474522 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Related reactions
7 records
Compound notes
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