Oenanthic acid

Oenanthic acid - Names and Identifiers

Name	Heptanoic acid
Synonyms	heptanoate hexacidc-7 Heptylsαure Hexacid C-7 n-heptanoic heptoicacid Heptansαure Heptoic acid Hepthlic acid Enanthic acid Enanthoic Acid Heptanoic acid Oenanthic acid n-Heptanoic acid Heptanoic Acid (C7)
CAS	111-14-8
EINECS	203-838-7
InChI	InChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
InChIKey	MNWFXJYAOYHMED-UHFFFAOYSA-N

Oenanthic acid - Physico-chemical Properties

Molecular Formula	C7H14O2
Molar Mass	130.18
Density	0.918 g/mL at 25 °C (lit.)
Melting Point	-10.5 °C (lit.)
Boling Point	223 °C (lit.)
Flash Point	>230°F
JECFA Number	96
Water Solubility	0.24 g/100 mL (15 ºC)
Solubility	water: soluble0.2419 g/100ml at 15°C
Vapor Presure	<0.1 mm Hg ( 20 °C)
Vapor Density	4.5 (vs air)
Appearance	Powder
Color	White to off-white
Merck	14,4660
BRN	1744723
pKa	4.89(at 25℃)
Storage Condition	Store below +30°C.
Stability	Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.
Explosive Limit	10.1%
Refractive Index	n20/D 1.4221(lit.)
Physical and Chemical Properties	Characteristics of colorless or light yellow liquid, a little of the smell of putrefactive fat.
Use	Mainly used in the production of heptanoate, organic synthesis of basic raw materials, widely used in spices, pharmaceuticals, lubricants, plasticizers and other industries.

Oenanthic acid - Risk and Safety

Hazard Symbols	C - Corrosive
Risk Codes	34 - Causes burns
Safety Description	S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S28A -
UN IDs	UN 3265 8/PG 3
WGK Germany	1
RTECS	MJ1575000
TSCA	Yes
HS Code	2915 90 70
Hazard Class	8
Packing Group	III
Toxicity	LD50 i.v. in mice: 1200±56 mg/kg (Or, Wretlind)

Oenanthic acid - Nature

Open Data Verified Data

colorless transparent oily liquid. There is a slight smell of putrefactive fat. Boiling point 223.5 °c. Melting Point -10.5 °c. Relative density (0.917~0.920. Refractive index 4230. Heat of fusion 14. 95kJ/mol. Slightly soluble in water, soluble in ethanol and ether.

Last Update：2024-01-02 23:10:35

Oenanthic acid - Preparation Method

Open Data Verified Data

with 1 hexene and synthesis gas as raw material, the first carbonylation to generate heptanal, then by air oxidation can generate heptanoic acid.

Last Update：2022-01-01 10:31:04

Oenanthic acid - Use

Open Data Verified Data

for the production of heptanoate products, as raw materials for spices.

Last Update：2022-01-01 10:31:04

Oenanthic acid - Safety

Open Data Verified Data

rat oral LD50 7000mg/kg,
mouse oral LD50 6400mg/kg. This product is non-toxic. lOOkg aluminum drum. According to the "general chemical regulations" for storage and transportation.

Last Update：2022-01-01 10:31:04

Oenanthic acid - Reference Information

FEMA	3348 \| HEPTANOIC ACID
LogP	2.54 at 20℃
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
toxicity	LD507000 mg/kg (rat, oral); Ld5. 6400mg/kg (mice, by mouth). GRAS(FEMA).
usage limit	FEMA(mg/kg): 2.0 for beverages and cold drinks; 6.0 for sweets, gelatine sweets and pudding; baked goods 8.0; Margarine 5.0; Compote and spread Food 2.0.
Use	is mainly used for the production of heptanoate, as a flavor GB 2760-1996 provides for the permitted use of edible flavors. The product can be used in the production of polyvinyl butyral plasticizer esters for safety glass, as an intermediate for alkyd resin stabilizers, and in the production of polyol esters for synthetic lubricants. organic synthesis. For the production of heptanoate products, as raw materials for spices. Antimycotics.
production method	heptanal is produced by carbonylation of 1-hexene with synthesis gas (CO H2) and then by air oxidation. heptanal was prepared from heptene -1 and synthesis gas by carbonylation, and then heptanoic acid was obtained by air oxidation. First, 1-heptene synthesis gas (carbon monoxide + hydrogen), recycle gas and catalyst solution are fed into the carbonylation reactor at 94-150 ℃ and 1.30MPa; the aldehydes were separated from the reaction product by reduced pressure flash distillation, and the catalyst and the reconstituted fraction could be recycled. The aldehydes are then fed to an oxidative conductor for oxidation in air at a pressure of less than 0.69MPa in a mixed transition metal catalyst system. Where the aldehyde is almost completely converted, separation and recycling is not required. After removing the trace catalyst contained in the obtained product, the product is sent to a two-column rectification system to remove the reconstituted fraction (which can be used as fuel) in the first column, and the top material is sent to the second column to obtain the product branched acid.
spontaneous combustion temperature	380°C
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)