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2051-31-2

2051-31-2 Structure

2051-31-2 Structure
IdentificationMore
[Name]

4-DECANOL
[CAS]

2051-31-2
[Synonyms]

4-DECANOL
4-DECYL ALCOHOL
N-HEXYL-N-PROPYLCARBINOL
1-Propylheptyl alcohol
Decanol-4
decan-4-ol
4-DECANOL, 97+%
Hexylpropylcarbinol
Decane-4-ol
[EINECS(EC#)]

218-117-2
[Molecular Formula]

C10H22O
[MDL Number]

MFCD00039627
[Molecular Weight]

158.28
[MOL File]

2051-31-2.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Melting point ]

-11.4°C
[Boiling point ]

210-211 °C
[density ]

0.82
[refractive index ]

1.431-1.433
[Fp ]

82 °C
[form ]

clear liquid
[pka]

15.44±0.20(Predicted)
[color ]

Colorless to Light yellow
[BRN ]

1735252
[InChI]

InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3
[InChIKey]

DTDMYWXTWWFLGJ-UHFFFAOYSA-N
[SMILES]

CCCC(O)CCCCCC
[LogP]

3.740 (est)
[CAS DataBase Reference]

2051-31-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S24/25:Avoid contact with skin and eyes .
S37/39:Wear suitable gloves and eye/face protection .
S36:Wear suitable protective clothing .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[HS Code ]

2905.19.9090
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

4-Decanol is an antimutagenic compound, that can be isolated from mustard leaves. 4-Decanol inhibits mutagenic activities of Aflatoxin B1 (HY-N6615) and MNNG (HY-128612) in Salmonella typhimurium TA100[1][2].
[References]

[1] Mahmood, U., et al. (2004). Volatile constituents of Capillipedium parviflorum. Phytochemistry, 65(14), 2163–2166.
[2] Kim J O , et al.Antimutagenic effects of 4-decanol identified from mustard leaf. Applied Biological Chemistry, 1993, 36:424-427.
Spectrum DetailBack Directory
[Spectrum Detail]

4-DECANOL(2051-31-2)MS
4-DECANOL(2051-31-2)1HNMR
4-DECANOL(2051-31-2)13CNMR
4-DECANOL(2051-31-2)IR1
4-DECANOL(2051-31-2)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-Decanol, 97+%(2051-31-2)
[TCI AMERICA]

4-Decanol,>98.0%(GC)(2051-31-2)
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