ChemicalBook--->CAS DataBase List--->3913-81-3

3913-81-3

3913-81-3 Structure

3913-81-3 Structure
IdentificationMore
[Name]

3-Heptylacrolein
[CAS]

3913-81-3
[Synonyms]

DECENAL
FEMA 2366
T2 DECENAL
TRANS-2-DECEN-1-AL
TRANS-2-DECENAL
TRANS-2-DECENYL ALDEHYDE
(2E)-2-Decenal
(2E)-decenal
(e)-2-decena
(E)-2-decenal
(E)-2-Decenol
(E)-dec-2-en-1-al
(E)-Dec-2-enal
Dec-2(E)-enal
trans-Dec-2-enal
trans-2-Decen-1-al (contaisn trans-2-decen-1-al diethyl acetal) (10% in ethanol)
2-decenal,(E)-2-decenal,3-heptylacrolein
2-Decenal, (2E)-
2-Decenal, (E)-
3-Heptylacrolein
[EINECS(EC#)]

223-474-2
[Molecular Formula]

C10H18O
[MDL Number]

MFCD00014679
[Molecular Weight]

154.25
[MOL File]

3913-81-3.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to light yellow liquid
[Boiling point ]

78-80 °C3 mm Hg(lit.)
[density ]

0.841 g/mL at 25 °C(lit.)
[FEMA ]

2366
[refractive index ]

n20/D 1.453(lit.)
[Fp ]

205 °F
[storage temp. ]

0-6°C
[solubility ]

Chlorofrom (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
[form ]

Liquid
[color ]

Clear colorless to light yellow
[Odor]

at 10.00 % in dipropylene glycol. waxy fatty earthy green cilantro mushroom aldehydic fried chicken fat tallow
[biological source]

synthetic
[Odor Type]

fatty
[Water Solubility ]

INSOLUBLE
[BRN ]

1704445
[Major Application]

flavors and fragrances
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h8-10H,2-7H2,1H3/b9-8+
[InChIKey]

MMFCJPPRCYDLLZ-CMDGGOBGSA-N
[SMILES]

[H]C(=O)\C([H])=C(/[H])CCCCCCC
[LogP]

3.70
[CAS DataBase Reference]

3913-81-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Decenal, (e)-(3913-81-3)
[EPA Substance Registry System]

3913-81-3(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Environment (GHS09)
GHS07,GHS09
[Signal word ]

Warning
[Hazard statements ]

H317-H319-H400
[Precautionary statements ]

P273-P280-P302+P352-P305+P351+P338
[Hazard Codes ]

Xi,N
[Risk Statements ]

R41:Risk of serious damage to eyes.
R43:May cause sensitization by skin contact.
R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36:Irritating to the eyes.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S60:This material and/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3082 9/PG 3
[WGK Germany ]

3
[RTECS ]

HE2070000
[F ]

10
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29121990
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Skin Sens. 1
Hazard InformationBack Directory
[Chemical Properties]

2-Decanal has a powerful waxy, orange aroma.
[Chemical Properties]

clear colorless to light yellow liquid
[Occurrence]

Reported found in bitter orange peel, blackberry, ginger, butter, mushroom, kiwi, bacon fat, roast beef, beef fat, heated beef fat, bilberries, carrot root, boiled chicken, chicken broth, cranberry press residue, ham, lingonberry, orange, heated pork fat, potato chip, soy bean, boiled mutton, tea, roasted filberts, roasted peanuts and coriander leaf.
[Uses]

trans-2-Decenal is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
[Definition]

ChEBI: A decenal containing a double bond at position 2 (the trans-stereoisomer).
[Preparation]

By reaction of octanal and ethyl vinyl ether and subsequent hydrolysis.
[Aroma threshold values]

Detection: 1 ppb; aroma characteristics at 1.0%: waxy, fatty, earthy, coriander, green, mushroom, aldehydic with a chicken and pork fat nuance.
[Taste threshold values]

Taste characteristics at 1.0 ppm: waxy, fatty, earthy, coriander, mushroom, green with a pork fat nuance.
[Synthesis Reference(s)]

Tetrahedron Letters, 26, p. 3613, 1985 DOI: 10.1016/S0040-4039(00)89204-7
[General Description]

trans-2-Decenal is one of the compounds that contribute to the taste and odor problem in drinking water. It was determined in water samples by headspace solid-phase microextraction (SPME) coupled with gas chromatography-mass spectrometry. It also shows strong nematicidal activity.
Spectrum DetailBack Directory
[Spectrum Detail]

3-Heptylacrolein(3913-81-3)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-2-Decenal, 95%(3913-81-3)
[Alfa Aesar]

trans-2-Decenal, 95%(3913-81-3)
[Sigma Aldrich]

3913-81-3(sigmaaldrich)
[TCI AMERICA]

trans-2-Decenal,>93.0%(GC)(3913-81-3)
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