2-octynoic acid

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Names

[ Name ]:
2-octynoic acid

[Synonym ]:
EINECS 227-121-3
pentylpropiolic acid
MFCD00004364
m-Pentyl propiolate
oct-2-ynoic acid
Propiolic acid,pentyl
Propiolic acid,pentyl ester
2-OCTYNOIC ACID
Oct-2-insaeure
2-Octyn-1-oic acid
oct-2-ynoid acid

Chemical & Physical Properties

[ Density]:
0.961 g/mL at 25 °C(lit.)

[ Boiling Point ]:
148-149 °C19 mm Hg(lit.)

[ Melting Point ]:
2-5 °C(lit.)

[ Molecular Formula ]:
C₈H₁₂O₂

[ Molecular Weight ]:
140.18000

[ Flash Point ]:
214 °F

[ Exact Mass ]:
140.08400

[ PSA ]:
37.30000

[ LogP ]:
1.65470

[ Index of Refraction ]:
n20/D 1.46(lit.)

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RI2725000

CHEMICAL NAME :: 2-Octynoic acid

CAS REGISTRY NUMBER :: 5663-96-7

BEILSTEIN REFERENCE NO. :: 1751225

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C8-H12-O2

MOLECULAR WEIGHT :: 140.20

WISWESSER LINE NOTATION :: 5OV1UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05747

Safety Information

[ Hazard Codes ]:
C

[ Risk Phrases ]:
R20/21/22

[ Safety Phrases ]:
S26-S27-S36/37/39-S45

[ RIDADR ]:
UN 3265 8/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
RI2725000

[ Packaging Group ]:
II

[ Hazard Class ]:
8

[ HS Code ]:
2916190090

Synthetic Route

Click to get detail synthetic route

Customs

[ HS Code ]: 2916190090

[ Summary ]:
2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%