CAS 149-57-5|2-Ethylcaproic acid

Introduction:Basic information about CAS 149-57-5|2-Ethylcaproic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name2-Ethylcaproic acid
CAS Number149-57-5Molecular Weight144.211
Density0.9±0.1 g/cm3Boiling Point228.0±0.0 °C at 760 mmHg
Molecular FormulaC8H16O2Melting Point-59 °C
MSDSChineseUSAFlash Point116.6±6.9 °C
Symbol
GHS08
Signal WordWarning

Names

Name2-Ethylhexanoic acid
SynonymMore Synonyms

Chemical & Physical Properties

Density0.9±0.1 g/cm3
Boiling Point228.0±0.0 °C at 760 mmHg
Melting Point-59 °C
Molecular FormulaC8H16O2
Molecular Weight144.211
Flash Point116.6±6.9 °C
Exact Mass144.115036
PSA37.30000
LogP2.72
Vapour density4.98 (vs air)
Vapour Pressure0.0±0.9 mmHg at 25°C
Index of Refraction1.435
InChIKeyOBETXYAYXDNJHR-UHFFFAOYSA-N
SMILESCCCCC(CC)C(=O)O
StabilityStable. Combustible. Incompatible with strong oxidizing agents, reducing agents, bases.
Water Solubility2 g/L (20 ºC)

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MO7700000
CHEMICAL NAME :
Hexanoic acid, 2-ethyl-
CAS REGISTRY NUMBER :
149-57-5
BEILSTEIN REFERENCE NO. :
1750468
LAST UPDATED :
199710
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C8-H16-O2
MOLECULAR WEIGHT :
144.24
WISWESSER LINE NOTATION :
QVY4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Open irritation test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>400 ppm/6H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1260 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
6300 uL/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25200 mg/kg/3W-C
TOXIC EFFECTS :
Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
8800 mg/kg/2W-I
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Liver - changes in liver weight Skin and Appendages - hair
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
81116 mg/kg/2W-C
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1803 mg/kg
SEX/DURATION :
female 12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
5 gm/kg
SEX/DURATION :
female 6-15 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
630 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 279,75,1992 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84204 No. of Facilities: 711 (estimated) No. of Industries: 23 No. of Occupations: 28 No. of Employees: 15851 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84204 No. of Facilities: 15863 (estimated) No. of Industries: 135 No. of Occupations: 89 No. of Employees: 176189 (estimated) No. of Female Employees: 20117 (estimated)

Safety Information

Symbol
GHS08
Signal WordWarning
Hazard StatementsH361d
Precautionary StatementsP280
Personal Protective EquipmentEyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard CodesXn:Harmful
Risk PhrasesR63
Safety PhrasesS36/37
RIDADRUN 3265 8/PG 2
WGK Germany1
RTECSMO7700000
Packaging GroupII
Hazard Class6.1
HS Code29159080

Customs

HS Code2915900090
Summary2915900090 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%

Articles32

More Articles
Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.

Bioorg. Med. Chem. Lett. 21 , 2521-6, (2011)

The inhibition of the β-carbonic anhydrases (CAs, EC 4.2.1.1) from the pathogenic fungi Cryptococcus neoformans (Can2) and Candida albicans (Nce103) with a series of 25 branched aliphatic and aromatic...

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...

Enabling unassisted solar water splitting by iron oxide and silicon.

Nat. Commun. 6 , 7447, (2015)

Photoelectrochemical (PEC) water splitting promises a solution to the problem of large-scale solar energy storage. However, its development has been impeded by the poor performance of photoanodes, par...

Synonyms

Octanoic Acid
2-ethyl-1-hexanoic acid
Hexanoic acid, 2-ethyl-
2-ETHYLHEXOIC ACID
2-ethyl-hexansyra
QVY4&2
Ethylhexanoic acid
CARBOXYLIC ACID C8
EINECS 205-743-6
2-Ethylcaproic acid
2-ethylhexanoic
2-Ethylhexanoic acid
2-ethyl-hexanoic acid
MFCD00002675
Neodymoctic acid
Ethylhexoic acid
CAS 51065-63-5|1-(2,6-Dimethoxyphenyl)propan-2-ol
CAS 68479-98-1|ar,ar-diethyl-ar-methyl-benzenediamine
Recommended......
TOP