2-Butyloctanoic acid

HCID 33970

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

2-Butyloctanoic acidOCTANOIC ACID, 2-BUTYL-butyloctanoic acidEINECS 248-570-1BRN 1765736UNII-89379760R4ISOCARB 12 ACID4-02-00-01112 (Beilstein Handbook Reference)JARIC I-1289379760R4DTXSID40884907.ALPHA.-BUTYLCAPRYLIC ACID
Show more names
ISOLAURIC ACIDJARICTM I-122-Butyloctansure2-Butyloctansaeure2-butyl-octanoicaci2-butyl-caprylic acid5-undecanecarboxylicacid
RefChem:86048ALPHA-BUTYLCAPRYLIC ACIDBUTYLOCTANOIC ACID [INCI]DTXCID201024326(+-)-2-BUTYLOCTANOIC ACID2-BUTYLOCTANOIC ACID, (+-)-OARDBPIZDHVTCK-UHFFFAOYSA-N27610-92-0

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

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

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 3 items

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.

Other Safety InformationAssessment (Certificate) - Octanoic acid, 2-butyl-: Health and Environment
Hazard Classes and CategoriesSkin Irrit. 2 (70.9%);Eye Irrit. 2 (70.9%);STOT SE 3 (70.9%);Aquatic Chronic 3 (23.6%)

Regulatory information

Regulatory Information · 3 items

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

Chemistry & industry

Uses & manufacturing

Use ClassificationCosmetics -> Surfactant; Cleansing; Emulsifying
General Manufacturing InformationOctanoic acid, 2-butyl-: ACTIVE

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
保定秉承新材料有限公司17531190177 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北盛明安化工有限公司13928406992 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

4 records

Compound notes

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