ChemicalBook--->CAS DataBase List--->1577-18-0

1577-18-0

1577-18-0 Structure

1577-18-0 Structure
IdentificationMore
[Name]

trans-3-Hexenoic acid
[CAS]

1577-18-0
[Synonyms]

3-HEXENOIC ACID
3-HEXENOIC ACID (TRANS)
FEMA 3170
FEMA NUMBER 3170
T3 HEXENOIC ACID
TRANS-3-HEXENOIC ACID
(E)-3-Hexenoic acid
(e)-3-hexenoicaci
(E)-3-Hexenoicacid
3(E)-hexenoic acid
3(E)-Hexenoicacid
3-Hexenoicacid,(3E)-
3-Hexenoicacid,(E)-
trans-hex-3-enoicacid
TRANS-3-HEXENOIC ACID 98+%
trans-3-Hexenoic
(E)-Hex-3-enoic acid
trans-Hydrosorbic acid
[EINECS(EC#)]

224-157-1
[Molecular Formula]

C6H10O2
[MDL Number]

MFCD00002786
[Molecular Weight]

114.14
[MOL File]

1577-18-0.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless to pale yellow liquid
[Melting point ]

11-12 °C (lit.)
[Boiling point ]

118-119 °C/22 mmHg (lit.)
[density ]

0.963 g/mL at 25 °C(lit.)
[vapor density ]

>1 (vs air)
[FEMA ]

3170
[refractive index ]

n20/D 1.44(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

clear liquid
[pka]

pK1:4.72 (25°C)
[color ]

Colorless to Light yellow to Light orange
[Odor]

at 1.00 % in dipropylene glycol. powerful fruity honey acid
[biological source]

synthetic
[Odor Type]

cheesy
[Water Solubility ]

SLIGHTLY SOLUBLE
[JECFA Number]

317
[BRN ]

1700862
[Major Application]

flavors and fragrances
[InChI]

1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+
[InChIKey]

XXHDAWYDNSXJQM-ONEGZZNKSA-N
[SMILES]

CC\C=C\CC(O)=O
[LogP]

1.60
[CAS DataBase Reference]

1577-18-0(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Hexenoic acid, (E)-(1577-18-0)
[EPA Substance Registry System]

1577-18-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)
GHS05
[Signal word ]

Danger
[Hazard statements ]

H314
[Precautionary statements ]

P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
[Hazard Codes ]

C
[Risk Statements ]

R34:Causes burns.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S25:Avoid contact with eyes .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S27:Take off immediately all contaminated clothing .
[RIDADR ]

UN 3265 8/PG 2
[WGK Germany ]

3
[RTECS ]

MP7730000
[TSCA ]

Yes
[REACH Registrations]

Active
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29161900
[Storage Class]

8A - Combustible corrosive hazardous materials
[Hazard Classifications]

Eye Dam. 1
Skin Corr. 1B
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Malonic acid-->Butyraldehyde-->(E)-4-Hexenoic acid-->cis-3-Hexenoic acid-->trans-2-Hexenoic acid-->Hexanoic acid-->Sorbic acid
[Preparation Products]

5-ethylfuran-2(5H)-one-->3-Hexenoyl chloride, (3E)-
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

trans-3-Hexenoic acid(1577-18-0).msds
Hazard InformationBack Directory
[Chemical Properties]

clear colorless to pale yellow liquid
[Uses]

trans-3-Hexenoic acid was used in the preparation of trans-3-hexen-1-ol, starting reagent for the synthesis of endo-brevicomin.
[Definition]

ChEBI: A 3-hexenoic acid having the trans configuration.
[General Description]

trans-3-Hexenoic acid occurs naturally in strawberry and bamboo leaves volatile oil.
Spectrum DetailBack Directory
[Spectrum Detail]

trans-3-Hexenoic acid(1577-18-0)MS
trans-3-Hexenoic acid(1577-18-0)1HNMR
trans-3-Hexenoic acid(1577-18-0)13CNMR
trans-3-Hexenoic acid(1577-18-0)IR1
trans-3-Hexenoic acid(1577-18-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

trans-3-Hexenoic acid, 97%(1577-18-0)
[Alfa Aesar]

trans-3-Hexenoic acid, 97%(1577-18-0)
[Sigma Aldrich]

1577-18-0(sigmaaldrich)
[TCI AMERICA]

trans-3-Hexenoic Acid,>95.0%(GC)(1577-18-0)
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