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638-53-9
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???(??):
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Tridecanoic acid
???(??):
TRIDECYLIC ACID;CH?(CH?)??COOH;Tridecanlic acid;N-TRIDECANOIC ACID;Tridecanoic Acid(C13:0);NSC 25955;NSC 69131;Tridecylsαure;Tridecansαure;ridecanoicaci
CBNumber:
CB7763238
???:
C13H26O2
??? ??:
214.34
MOL ??:
638-53-9.mol
MSDS ??:
SDS

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???
41-42 °C(lit.)
?? ?
236 °C100 mm Hg(lit.)
??
0.9582 g/cm3 (20 ºC)
???
1.4498 (589.3 nm 20℃)
FEMA
4336 | TRIDECANOIC ACID
???
>230 °F
?? ??
room temp
???
?????(?? ???)
??? ??
??? ???, ???? ?? ??
?? ?? (pKa)
4.78±0.10(Predicted)
??
???? ?? ???
??
100.00%??. ?? ?? ??
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????
???? ??
synthetic (organic)
???
33mg/L(20℃)
JECFA Number
2301
BRN
508317
Henry's Law Constant
8.0×100 mol/(m3Pa) at 25℃, Yaws (2003)
???
????. ??, ???, ???? ???? ????.
InChI
1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
InChIKey
SZHOJFHSIKHZHA-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCC(O)=O
LogP
5.56
CAS ??????
638-53-9(CAS DataBase Reference)
EPA
Tridecanoic acid (638-53-9)
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  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 36/37/38
????? 26-36
WGK ?? 3
RTECS ?? YD3850000
TSCA TSCA listed
HS ?? 29159000
???? ??? 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
????(GHS): Exclamation Mark (GHS07)
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H315 ??? ??? ??? ????? ?? ????? ?? 2 ?? P264, P280, P302+P352, P321,P332+P313, P362
H319 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 2A ?? P264, P280, P305+P351+P338,P337+P313P
H335 ?? ???? ??? ? ?? ?? ???? ?? - 1? ??;???? ?? ?? 3 ??
??????:
P261 ??·?·??·???·??·...·????? ??? ????.
P264 ?? ??? ?? ??? ????.
P264 ?? ??? ?? ??? ????.
P271 ?? ?? ??? ? ?? ???? ?????.
P280 ????/???/???/?????? ?????.
P302+P352 ??? ??? ??? ?? ????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
1
2 0

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Tridecanoic acid , or tridecylic acid, is a 13-carbon saturated fatty acid with the chemical formula CH3(CH2)11COOH. It is commonly found in dairy products. It is also found in some plants, such as nutmeg, muskmelon, black elderberry, and coconut.

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off-white or white crystalline solid; waxy, woody aroma.

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Reported found in star fruit oil Cuba (0.30%) and rue oil Cuba (0.07%).

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Tridecanoic acid is a metabolite found in the aging mouse brain. It can be used in organic synthesis which is used to synthesize Testosterone Tridecanoate. It can also be used in wastewater treatment as a glycol ester and to reduce the presence of organic molecules such as caproic acid, alkanoic acid, and multivariate logistic regression.

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Tridecanoic acid has been used as an internal standard for the lipid analysis of total intramuscular fat from broilers and fatty acid analysis in chinook salmon roe lipids. It has also been used as a reference standard in gas chromatography for quantifying fatty acids in meat samples.

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ChEBI: Tridecanoic acid is a C13 straight-chain saturated fatty acid. It has a role as a plant metabolite. It is a long-chain fatty acid and a straight-chain saturated fatty acid. It is a conjugate acid of a tridecanoate.

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Tridecanoic acid is an aliphatic monoacid. It is complexed to β-cyclodextrin (β-CD) for structural studies. It can exist in three polymeric forms(A′, B′ and C′) when crystallized.

Purification Methods

Crystallise the acid from acetone. [Beilstein 2 IV 1117.]

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[1] M. Goto, E. Asada. “The Crystal Structure of the A′-form of Tridecanoic Acid.” Bulletin of the Chemical Society of Japan 53 1 (1980): 2111–2113.

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