ChemicalBook CAS DataBase List 100-50-5

100-50-5

Name	3-Cyclohexene-1-carboxaldehyde
CAS	100-50-5
EINECS(EC#)	202-858-3
Molecular Formula	C7H10O
MDL Number	MFCD00001572
Molecular Weight	110.15
MOL File	100-50-5.mol

Synonyms

1,2,3,6-TETRAHYDROBENZALDEHYDE 1,2,5,6-TETRAHYDROBENZALDEHYDE 3-CYCLOHEXENE-1-CARBOXALDEHYDE 3-CYCLOHEXENYLMETHANAL 4-FORMYL-1-CYCLOHEXENE TETRAHYDROBENZALDEHYDE 1,2,3,6-Tetrahydrobenzaldehyde(1,2,5,6) 1-Cyclohexene-4-carboxaldehyde 1-Formyl-3-cyclohexene 3-Cyclohexen-1-aldehyde 3-Cyclohexene-1-carbaldehyde 4-Cyclohexene-1-carboxaldehyde 4-Formylcyclohexene Cyclohexene-4-carboxaldehyde delta1-tetrahydrobenzaldehyde cyclohex-3-ene-1-carbaldehyde 1 2 3 6-TETRAHYDROBENZALDEHYDE 99% cyclohex-3-enecarbaldehyde Cyclohex-3-en-1-carbaldehyd 3-CYCLOHEXENE-1-FORMALDEHYDE 98%

Chemical Properties

Appearance	slightly yellowish-green liquid
Melting point	1-3°C
Boiling point	163-164 °C(lit.)
density	0.94 g/mL at 25 °C(lit.)
vapor density	3.8 (vs air)
vapor pressure	2.52hPa at 25℃
refractive index	n20/D 1.4745(lit.)
Fp	115 °F
storage temp.	2-8°C
solubility	Slightly soluble in water
form	clear liquid
color	Colorless to Light yellow
Stability:	Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
Water Solubility	11.5g/L at 20℃
Sensitive	Air Sensitive
Detection Methods	GC,NMR
BRN	774001
InChI	1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
InChIKey	DCFDVJPDXYGCOK-UHFFFAOYSA-N
SMILES	[H]C(=O)C1CCC=CC1
LogP	1.89
CAS DataBase Reference	100-50-5(CAS DataBase Reference)
NIST Chemistry Reference	3-Cyclohexene-1-carboxaldehyde(100-50-5)
EPA Substance Registry System	100-50-5(EPA Substance)

Safety Data

Hazard Codes	Xn
Risk Statements	R21:Harmful in contact with skin. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . less more
RIDADR	UN 2498 3/PG 3
WGK Germany	1
RTECS	GW2800000
F	10
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	III
HS Code	29122990
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Dermal Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1A STOT SE 3
Safety Profile	Moderately toxic by ingestion, inhalation, and sh contact. Corrosive. An eye, skin, and mucous membrane irritant. Flammable liquid. When heated to decomposition it emits acrid smoke and irritating fumes. See also ALDEHYDES. less more
Hazardous Substances Data	100-50-5(Hazardous Substances Data)

Hazard Information

General Description

A colorless liquid. Flash point 135°F. Less dense than water and slightly soluble in water. Hence floats on water. Irritates skin, eyes and mucous membranes. Used to make fabrics water resistant, and to make other chemicals.

Reactivity Profile

1,2,3,6-TETRAHYDROBENZALDEHYDE(100-50-5) is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Air & Water Reactions

Flammable. Slightly soluble in water.

Health Hazard

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Chemical Properties

slightly yellowish-green liquid

Uses

Cyclohex-3-ene-1-carbaldehyde can be used as coupled exposure to ingredients of cosmetic products.

Synthesis Reference(s)

Journal of the American Chemical Society, 92, p. 3126, 1970 DOI: 10.1021/ja00713a034
The Journal of Organic Chemistry, 52, p. 5293, 1987 DOI: 10.1021/jo00232a049

Flammability and Explosibility

Flammable

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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