2-HEXYLDECANOIC ACID

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Names

[ Name ]:
2-HEXYLDECANOIC ACID

[Synonym ]:
2-hexyl-decanoic acid
hexyldecanoic acid
C16 Guerbet fatty acid
2-Hexyldecanoic Acid
MFCD00059651
Pentadecane-7-carboxylic Acid
7-Pentadecanecarboxylic acid
DECANOIC ACID,2-HEXYL
2-Hexyldecansaeure
2-n-Hexyldecanoic acid
2-Hexyldecansaeure [German]
EINECS 246-885-9

Chemical & Physical Properties

[ Density]:
0,88 g/cm3

[ Boiling Point ]:
165-168°C 2mm

[ Melting Point ]:
10°C

[ Molecular Formula ]:
C₁₆H₃₂O₂

[ Molecular Weight ]:
256.42400

[ Flash Point ]:
174°C

[ Exact Mass ]:
256.24000

[ PSA ]:
37.30000

[ LogP ]:
5.40820

[ Vapour Pressure ]:
1.6E-06mmHg at 25°C

[ Index of Refraction ]:
1.4460

[ Stability ]:
Stable. Combustible. Incompatible with strong oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HD9750000

CHEMICAL NAME :: Decanoic acid, 2-hexyl-

CAS REGISTRY NUMBER :: 25354-97-6

BEILSTEIN REFERENCE NO. :: 1777217

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C16-H32-O2

MOLECULAR WEIGHT :: 256.48

WISWESSER LINE NOTATION :: QVY8&6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >1 gm/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 3,86,1953

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg

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

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 3,86,1953

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S24/25-S36-S26

[ RIDADR ]:
NONH for all modes of transport

[ RTECS ]:
HD9750000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

2-Hexyl-1-decanol
Sulfuric acid
hexyl-octylmalonic acid
Propanedioic acid,2-hexyl-, 1,3-diethyl ester
1-Bromohexane
diethyl hexyl-octylmalonate
octene
Octanoic acid

DownStream

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Macromolecules 38(14) , 5914-5920, (2005)

Ester synthesis by the lipase from Pseudomonas fragi 22.39 B. Nishio T, et al.

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