Pentadecanoic acid

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Names

[ CAS No. ]:
1002-84-2

[ Name ]:
Pentadecanoic acid

[Synonym ]:
n-Pentadecylic acid
Pentadecansaeure
Pentadecyclic acid
MFCD00002745
n-pentadecanoic acid
pentadecanoate
Pentadecanoic acid
EINECS 213-693-1
CH3(CH2)13COOH
Pentadecylic acid

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
330.4±5.0 °C at 760 mmHg

[ Melting Point ]:
51-53 °C(lit.)

[ Molecular Formula ]:
C15H30O2

[ Molecular Weight ]:
242.398

[ Flash Point ]:
149.6±12.5 °C

[ Exact Mass ]:
242.224579

[ PSA ]:
37.30000

[ LogP ]:
6.62

[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C

[ Index of Refraction ]:
1.452

[ Storage condition ]:
−20°C

[ Stability ]:
Stable. Combustible. Incompatible with bases, reducing agents, oxidizing agents.

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RZ1925000
CHEMICAL NAME :
Pentadecanoic acid
CAS REGISTRY NUMBER :
1002-84-2
BEILSTEIN REFERENCE NO. :
1773831
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C15-H30-O2
MOLECULAR WEIGHT :
242.45
WISWESSER LINE NOTATION :
QV14

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 :
54 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 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - M1957 No. of Facilities: 47 (estimated) No. of Industries: 3 No. of Occupations: 6 No. of Employees: 1232 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - M1957 No. of Facilities: 211 (estimated) No. of Industries: 7 No. of Occupations: 14 No. of Employees: 3963 (estimated) No. of Female Employees: 918 (estimated)

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335-H413

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

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Gloves

[ Hazard Codes ]:
Xi: Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
RZ1925000

[ HS Code ]:
2915900090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Hexadecene
  • 2-hydroxy Palmitic Acid
  • 1-methoxypentadecylsulfanylbenzene
  • (4-methyl-2-sulfanylidene-1,3-thiazol-3-yl) hexadecanoate
  • 5-decylthiophene-2-carboxylic acid
  • 2-oxohexadecanoic acid
  • 2-decylthiophene
  • 1-thiophen-2-yldecan-1-one
  • 1-(5-decyl-[2]thienyl)-ethanone
  • Phenol, 3-pentadecyl-

DownStream

  • n-Tetradecyl isocyanate
  • Ethyl pentadecanoate
  • nonacosan-15-one
  • 2-Hexadecanone
  • METHYL PENTADECANOATE
  • Nonadecylic acid
  • pentadecane
  • 1-Pentadecanol
  • tricosanol
  • pentadecanal

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%

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Mol. Biosyst. 11 , 1525-35, (2015)

Inborn errors of metabolism are genetic disorders due to impaired activity of enzymes, transporters, or cofactors resulting in accumulation of abnormal metabolites proximal to the metabolic block, lac...

HMDB: a knowledgebase for the human metabolome.

Nucleic Acids Res. 37(Database issue) , D603-10, (2009)

The Human Metabolome Database (HMDB, http://www.hmdb.ca) is a richly annotated resource that is designed to address the broad needs of biochemists, clinical chemists, physicians, medical geneticists, ...

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PLoS ONE 6(2) , e16957, (2011)

Continuing improvements in analytical technology along with an increased interest in performing comprehensive, quantitative metabolic profiling, is leading to increased interest pressures within the m...


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Related Compounds

  • Pentadecanoic acid-d2
  • Pentadecanoic Acid-d3
  • Pentadecanoic acid-d29
  • lead,pentadecanoic acid
  • 5-oxopentadecanoic acid
  • 4-oxopentadecanoic acid
  • 4-(4-Propoxyphenyl)-1,2,5-oxadiazol-3-amine
  • 7-[2-(trifluoromethyl)phenyl]pyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidin-6(7H)-one
  • 4-bromo-N-[5-(4-methoxybenzyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzenesulfonamide
  • N-[5-(3,4-dimethoxybenzyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzenesulfonamide
  • N-{5-[2-(4-methoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzenesulfonamide
  • N-[5-(2-methoxybenzyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzenesulfonamide
  • 4-bromo-N-(5-cyclohexyl-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)benzenesulfonamide
  • N-benzyl-1-[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]piperidine-4-carboxamide
  • 4-bromo-N-[5-(propan-2-yl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl]benzenesulfonamide
  • 4-bromo-N-{5-[3-(morpholin-4-yl)propyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}benzenesulfonamide
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