n-heptanoic acid

Names

[ CAS No. ]:
111-14-8

[ Name ]:
n-heptanoic acid

[Synonym ]:
hexane-6-carboxyamide
Enanthylic acid
Heptylic acid
Enanthyl alcohol
n-Heptoic acid
1-heptanoic acid
Heptoic acid
enanthic acid
Oenanthic acid
hexa carboxylic acid
Enanthic acid,Oenanthic acid
hexane carboxylic acid
MFCD00004426
enanthoic acid
EINECS 203-838-7
Heptanoic acid
n-Heptylic acid

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
222.6±3.0 °C at 760 mmHg

[ Melting Point ]:
-10.5 °C

[ Molecular Formula ]:
C₇H₁₄O₂

[ Molecular Weight ]:
130.185

[ Flash Point ]:
99.2±11.9 °C

[ Exact Mass ]:
130.099380

[ PSA ]:
37.30000

[ LogP ]:
2.37

[ Vapour density ]:
4.5 (vs air)

[ Vapour Pressure ]:
0.1±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.433

[ Stability ]:
Stable. Incompatible with strong oxidizing agents, bases, reducing agents. Combustible. Protect from light.

[ Water Solubility ]:
0.24 g/100 mL (15 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MJ1575000

CHEMICAL NAME :: Heptanoic acid

CAS REGISTRY NUMBER :: 111-14-8

BEILSTEIN REFERENCE NO. :: 1744723

LAST UPDATED :: 199710

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C7-H14-O2

MOLECULAR WEIGHT :: 130.21

WISWESSER LINE NOTATION :: QV6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 7 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FDRLI* Food & Drug Research Laboratories, Inc., Papers. (P.O. Box 107, Rt. 17C, Waverly, NY 14892-0107) Volume(issue)/page/year: 123,-,1976

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 6400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: BIJOAK Biochemical Journal. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1906- Volume(issue)/page/year: 34,1196,1940

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1200 mg/kg

TOXIC EFFECTS :: Behavioral - convulsions or effect on seizure threshold

REFERENCE :: APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59, 1945-86. For publisher information, see PHTOEH Volume(issue)/page/year: 18,141,1961 *** REVIEWS *** TOXICOLOGY REVIEW AMIHAB AMA Archives of Industrial Health. (Chicago, IL) V.11-21, 1955-60. For publisher information, see AEHLAU. Volume(issue)/page/year: 21,100,1960 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84195 No. of Facilities: 31 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 981 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84195 No. of Facilities: 1751 (estimated) No. of Industries: 33 No. of Occupations: 32 No. of Employees: 34035 (estimated) No. of Female Employees: 2138 (estimated)

Safety Information

[ Symbol ]:

GHS05, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314-H332-H335

[ Precautionary Statements ]:
P260-P280-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338 + P310

[ Personal Protective Equipment ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
C:Corrosive

[ Risk Phrases ]:
R34

[ Safety Phrases ]:
S26-S28-S36/37/39-S45-S28A

[ RIDADR ]:
UN 3265 8/PG 3

[ WGK Germany ]:
1

[ RTECS ]:
MJ1575000

[ Packaging Group ]:
III

[ Hazard Class ]:
8

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2915900090

[ Summary ]:
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%

Articles

Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members.

J. Biol. Chem. 282 , 23841-53, (2007)

Organic anion transporters (OATs, SLC22) interact with a remarkably diverse array of endogenous and exogenous organic anions. However, little is known about the structural features that determine thei...

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Phys. Chem. Chem. Phys. 17(4) , 2357-65, (2014)

A high-throughput approach was developed in order to prepare and dry a series of protic ionic liquids (PILs) from 48 Brønsted acid-base combinations. Many combinations comprised an alkyl carboxylic ac...

Mosquito odorant receptor for DEET and methyl jasmonate.

Proc. Natl. Acad. Sci. U. S. A. 111(46) , 16592-7, (2014)

Insect repellents are important prophylactic tools for travelers and populations living in endemic areas of malaria, dengue, encephalitis, and other vector-borne diseases. DEET (N,N-diethyl-3-methylbe...