Basic information
- CAS
27610-92-0- Standard SMILES
CCCCCCC(CCCC)C(=O)O- InChIKey
OARDBPIZDHVTCK-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2-Butyloctanoic acid
- IUPAC
- 2-butyloctanoic acid
- English name
- 2-BUTYLOCTANOIC ACID
- Molecular formula
- C12H24O2
- Molecular weight
- 200.32
Names & synonyms
Show more names
Database identifiers
- CAS
27610-92-0- PubChem CID
- 33970
- DTXSID
DTXSID40884907- ChEMBL
CHEMBL1789216- UNII
- 89379760R4
- EC Number
- 248-570-1
- Nikkaji
- J64.737C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 230 °C · 230 °C (lit.)
- Density
- 0.887 g/mL · 0.887 g/mL at 25 °C (lit.)
- vapor pressure
- 0.007 Pa · 0.007Pa at 20℃
- refractive index
- 20 · n20/D 1.438(lit.)
- Flash point
- 113 °C · 113 °C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- form
- Oil
- pka
- 4.82 · 4.82±0.40(Predicted)
- color
- Colourless
- Water Solubility
- 2.2 mg/L · 2.2mg/L at 20℃
- Stability
- Stable. Incompatible with strong oxidizing agents. Combustible.
- Cosmetics Ingredients Functions
- SURFACTANT - CLEANSINGSURFACTANT - EMULSIFYINGCLEANSING
- InChI
- 1S/C12H24O2/c1-3-5-7-8-10-11(12(13)14)9-6-4-2/h11H,3-10H2,1-2H3,(H,13,14)
- InChIKey
- OARDBPIZDHVTCK-UHFFFAOYSA-N
- SMILES
- CCCCCCC(CCCC)C(O)=O
- LogP
- 4.33 at · 4.33 at 25℃
- CAS DataBase Reference
- 27610 · 27610-92-0
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 89379760 R4 · 89379760R4
- EPA Substance Registry System
- 2 · Octanoic acid, 2-butyl- (27610-92-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 1 · 1
- RTECS
- 368000 · RH0368000
- TSCA
- TSCA listed
- Storage Class
- 10 · 10 - Combustible liquids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 5.5% (3 of 55) of reports.
Warning
H315 (70.9%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (70.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (70.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H412 (23.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P261, P264, P264+P265, P271, P273, 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)
Aggregated GHS information provided per 55 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 3 of 55 reports by companies.;There are 3 notifications provided by 52 of 55 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory Information
Chemical: Octanoic acid, 2-butyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154
Octanoic acid, 2-butyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Regulatory information
Regulatory Information
Chemical: Octanoic acid, 2-butyl-;Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.
Status: Active Update: 30-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/20154
Octanoic acid, 2-butyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RH0368000
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses2-Butyloctanoic Acid is a fenton and photo-fenton oxidation of textile effluents.
General Description2-Butyloctanoic acid is a 2-butyl-substituted carboxylic acid.
Suppliers70 total
Related reactions
Compound notes
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