(+-)-4-Methylhexanoic acid
IUPAC: 4-methylhexanoic acid
Plain text
Chemfused. (2026). (+-)-4-Methylhexanoic acid, CAS 1561-11-1. Retrieved 2026-04-28 from https://chemfused.com/cas/1561-11-1
BibTeX
@misc{chemfused-cas-1561111,
title = {(+-)-4-Methylhexanoic acid, CAS 1561-11-1},
author = {Chemfused},
year = {2026},
url = {https://chemfused.com/cas/1561-11-1},
urldate = {2026-04-28}
}
(+-)-4-Methylhexanoic acid (CAS 1561-11-1) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.18 g/mol . GHS signal word: Danger. Hazard classifications: Flammable, Corrosive.
What is (+-)-4-Methylhexanoic acid?
- Molecular Formula
- C7H14O2
- Molecular Weight
- 130.18 g/mol
Description
4-methyl-hexanoic acid is a medium-chain fatty acid.
Structure Identifiers
- SMILES
- CCC(C)CCC(=O)O
- InChI
- InChI=1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
- InChIKey
- DIVCBWJKVSFZKJ-UHFFFAOYSA-N
Properties
Computed
Calculated molecular descriptors used in drug design and computational chemistry.
- Exact Mass
- 130.0994 Da
- XLogP
- 2.00
- TPSA
- 37.3 Ų
- H-Bond Donors
- 1
- H-Bond Acceptors
- 2
- Complexity
- 89
- Formal Charge
- 0
Safety information
Signal Word
GHS Pictograms
GHS02
GHS05
Hazard Statements
- H226 Flammable liquid and vapour
Precautionary Statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P233 Keep container tightly closed
- P240 Ground/bond container and receiving equipment
- P241 Use explosion-proof electrical/ventilating/lighting equipment
- P242 Use only non-sparking tools
- P243 Take precautionary measures against static discharge
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P264 Wash thoroughly after handling
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P301+P330+P331 IF SWALLOWED: Rinse mouth. Do NOT induce vomiting
- P303+P361+P353 IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower
- P304+P340 IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing
- P321 Specific treatment (see supplemental first aid instructions on this label)
- P363 Wash contaminated clothing before reuse
- P370+P378 In case of fire: Use appropriate media for extinction
- P403+P235 Store in a well-ventilated place. Keep cool
- P405 Store locked up
- P501 Dispose of contents/container to an approved waste disposal plant
Synonyms (46)
- E84082
- STR02741
- 1561-11-1
- 216-336-8
- DB-064119
- NSC249817
- Q27276761
- CS-0199329
- E1R4C4A1NO
- EBC-309052
- NS00048384
- NSC 249817
- NSC-249817
- orb3023523
- Z955111774
- CHEBI:180001
- EN300-134849
- LMFA01020082
- MFCD00870848
- SCHEMBL50856
- SCHEMBL50857
- AKOS010054807
- CHEMBL1789159
- DTXCID10811422
- DTXSID70862692
- RefChem:525598
- SCHEMBL2206051
- SCHEMBL9781869
- SCHEMBL9938219
- SCHEMBL23827457
- SCHEMBL25323230
- UNII-E1R4C4A1NO
- EINECS 216-336-8
- 4-methylcaproic acid
- 4-METHYLHEXANOICACID
- 4-ethylpentanoic acid
- 4-METHYLHEXANOIC ACID
- 4-methyl hexanoic acid
- 4-methyl-hexanoic acid
- d-4-Methylhexanoic acid
- Hexanoic acid, 4-methyl-
- (+-)-4-Methylhexanoic acid
- 4-Methylhexanoic acid, 97%
- 4-METHYLHEXANOIC ACID, (+/-)-
- CAPROIC ACID, .GAMMA.-METHYL-
- Hexanoic acid, 4-methyl-, (.+/-.)-
Frequently asked questions
What is the CAS number of (+-)-4-Methylhexanoic acid?
The CAS Registry Number for (+-)-4-Methylhexanoic acid is 1561-11-1.
What is the IUPAC name of (+-)-4-Methylhexanoic acid?
The IUPAC name of (+-)-4-Methylhexanoic acid is 4-methylhexanoic acid.
What is the molecular formula of (+-)-4-Methylhexanoic acid?
(+-)-4-Methylhexanoic acid has the molecular formula C7H14O2 and a molecular weight of 130.18 g/mol.
What is the SMILES notation for (+-)-4-Methylhexanoic acid?
The SMILES notation for (+-)-4-Methylhexanoic acid is CCC(C)CCC(=O)O.
Is (+-)-4-Methylhexanoic acid hazardous?
(+-)-4-Methylhexanoic acid carries the following GHS hazard classifications: Flammable, Corrosive. Signal word: Danger.
What are other names for (+-)-4-Methylhexanoic acid?
(+-)-4-Methylhexanoic acid is also known as (+-)-4-Methylhexanoic acid, 1561-11-1, 216-336-8, 4-ethylpentanoic acid, 4-methyl hexanoic acid.
Data sourced from PubChem CID 15271. Last updated .
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