Enciclopedia Química / Pharmaceutical Intermediates / Organic Intermediate

trans-2-hexen-1-ol

CAS：928-95-0
MW:100.15888
MF：C6H12O

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Nombres y Identificadores
Propiedades
Seguridad
MSDS
NMR El espectro.
otra información
Datos químicos computacionales
Preguntas relacionadas
información real del producto

1. Nombres y Identificadores

1.1 Nombre del producto: trans-2-hexen-1-ol

1.2 Sinónimos: TRANS-2-HEXEN-1-OL 95+% FCC;trans-2-Hexen-1-ol,97%;(E)-2-hexenol,(E)-2-hexen-1-ol;2-Hexen-1-ol, (2E)-;HEXENOL TRANS-2;TRANS-2-HEXEN-1-OL WITH GC;trans-2-Hexenyl alcohol;Trans-2-hexen-1-ol >=90.0%, Natural

1.3 CAS No.: 928-95-0

1.4 CID: 5318042

1.5 Número EINECS: 213-191-2

1.6 Fórmula molecular: C6H12O

1.7 Inchi: InChI=1S/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3/b5-4+

1.8 InchiKey: ZCHHRLHTBGRGOT-SNAWJCMRSA-N

1.9 Canónico SMILES: CCCC=CCO

1.10 Isómero SMILES: CCC/C=C/CO

2. Propiedades

2.1 Punto de fusión: 54.63 ° C

2.2 Almacenamiento: Zona de Inflamables

2.3 pKa: 14.45±0.10(Predicted)

2.4 Solubilidad del agua: Ligeramente soluble en agua

3. Seguridad

3.1 Códigos de peligro: Xi

3.2 Frase R: 10-36/37/38

3.3 Frase S: Rinde de 26 a 36 porciones

3.4 RIDADR: UN 1987 3 / PG 3

3.5 WGK Alemania: 2

3.6 RTECS: MP8390000

3.7 Seguridad y riesgos

Códigos de peligro	Xi
Frase R	10-36/37/38
Frase S	Rinde de 26 a 36 porciones
RIDADR	UN 1987 3 / PG 3
WGK Alemania	2
RTECS	MP8390000
TSCA	Sí
Clase de almacenamiento	3
Grupo de embalaje	III

View all

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 3

Skin sensitization, Category 1B

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H226 Flammable liquid and vapour H317 May cause an allergic skin reaction H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking. P233 Keep container tightly closed. P240 Ground and bond container and receiving equipment. P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment. P242 Use non-sparking tools. P243 Take action to prevent static discharges. P280 Wear protective gloves/protective clothing/eye protection/face protection. P261 Avoid breathing dust/fume/gas/mist/vapours/spray. P272 Contaminated work clothing should not be allowed out of the workplace. P264 Wash ... thoroughly after handling.
Response	P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower]. P370+P378 In case of fire: Use ... to extinguish. P302+P352 IF ON SKIN: Wash with plenty of water/... P333+P313 If skin irritation or rash occurs: Get medical advice/attention. P321 Specific treatment (see ... on this label). P362+P364 Take off contaminated clothing and wash it before reuse. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	P403+P235 Store in a well-ventilated place. Keep cool.
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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5. NMR El espectro.

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

IR : CCl4 solution

IR : liquid film

Raman : 4880 A,200 M,liquid

Mass

6. Árbol de objetos

928-95-0Total: 38 Árbol de objetos

505-57-7 2 Productores

928-95-0 70 Productores

764-60-3 27 Productores

928-95-0 70 Productores

Ver todo

7. Precursores y productos

Precursores:

505-57-7

4798-44-1

592-41-6

6728-26-3

764-60-3

Productos:

505-57-7

66-25-1

4798-44-1

592-41-6

73881-10-4

6728-26-3

2497-18-9

66675-43-2

64275-32-7

111-27-3

8. Datos químicos computacionales

Molecular Weight：100.15888g/mol
Molecular Formula：C₆H₁₂O
Compound Is Canonicalized：True
Exact Mass：1.4
XLogP3-AA：100.088815002
Monoisotopic Mass：100.088815002
Complexity：48.1
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：：7
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：1
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBgIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgCAACBCAAAAAAAgAAAICAAAAAgAFAAAAQAAEAAAgAAIEAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9.otra información

Sistema de Registro de Sustancias EPA: 2-Hexen-1-ol, (2E)-(928-95-0)

BRN: 1719709

NIST Referencia Química: 2-Hexen-1-ol, (E)-(928-95-0)

10. Toltal 62 Productores Ver m�s

High Purity trans-2-Hexen-1-ol CAS 928-95-0

Hebei Mojin Biotechnology Co.,Ltd

^1YR

Tel: Update Time:2024/11/15

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Baoji Guokang Healthchem co.,ltd

^1YR

Tel: Update Time:2024/11/15

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Factory Supply trans-2-Hexen-1-ol CAS 928-95-0

Hebei Crovell Biotech Co. Ltd

^1YR

Tel: Update Time:2024/11/15

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Hebei Yanxi Chemical Co.,Ltd

^1YR

Tel: Update Time:2024/11/14

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Factory Supply trans-2-Hexen-1-ol CAS 928-95-0 Hi-Q(high quality)

Tianjin Furun Tongda International Trade Co., LTD

^1YR

Tel: Update Time:2024/11/15

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11. Preguntas relacionadas

: How to prepare trans-2-Hexen-1-ol and assess its toxicity?Introduction trans-2-Hexen-1-ol, referred to as 2-hexenol, is a fresh A component of the raspberry aroma, this substance has been detected in Valencian orange juice and apples and is found in nature i..; What are the applications of trans-2-Hexen-1-ol?Overview[1] trans-2-Hexen-1-ol is a volatile component found in tea. It was first discovered in tea leaves in 1966. This colorless liquid is slightly soluble in water and soluble in organic solvents s..

12. información real del producto