505-57-7 Usage
Description
2-Hexenal has a characteristic green, leafy odor.
Chemical Properties
2-Hexenal has a sweet, fragrant, almond, fruity green, leafy, apple, plum, vegetable odor.
Occurrence
Reported found in the distillation waters of several plants, such as Carpinus betulus; also identified among the
constituents of tea (leaves) oil and in citronella. Also reported found in numerous foods including apple juice, apricot, banana, citrus
peel oils and juices, blueberry, strawberry, guava, peach, pear, melon, cabbage, kohlrabi, cucumber, lettuce, leek, peas, tomato, thymus, butter, milk, fish, fish oil, meats, hop oil, beer, grape wines, peanut oil, pecans, potato chips, soybeans, avocado, olive, passion
fruit, plum, Malay apple, star fruit, mango, cauliflower, fig, artichoke, coriander leaf, rice, radish, lovage leaf, laurel, loquat, endive,
nectarines, clam, quince and tobacco.
Preparation
From interaction of butyraldehyde acetal with vinyl ether followed by hydrolysis or by any other suitable means.
Definition
ChEBI: A hexenal having the double bond at the 2-position.
Aroma threshold values
Detection: 30 ppb; aroma characteristics at 1.0%: pungent green fatty, fresh fruity aldehydic, with fresh
leafy apple and watermelon nuances.
Taste threshold values
Taste characteristics at 5 ppm: fruity, fresh green, herbal and vegetative, apple and melon with a slight yeasty
nuance.
Toxicity evaluation
The acute oral LD50 value in rats was reported as 0.85 g/kg (0.65-1.05 g/kg) (Moreno, 1973). The oral LD50 values for trans-2-hexenal were reported as 780-1130 and 1550-1750 mg/kg in rats and mice, respectively, and the ip LD50 values were reported as 100-200 mg/kg in both species (Gaunt, Colley, Wright, Creasey, Grasso & Gangolli, 1971). The acute dermal LD50 value in rabbits was reported as 0.60 g/kg (0.37-0.83 g/kg) (Moreno, 1973).
Check Digit Verification of cas no
The CAS Registry Mumber 505-57-7 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 5,0 and 5 respectively; the second part has 2 digits, 5 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 505-57:
(5*5)+(4*0)+(3*5)+(2*5)+(1*7)=57
57 % 10 = 7
So 505-57-7 is a valid CAS Registry Number.
InChI:InChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+
505-57-7Relevant articles and documents
Mukhamedova,L.A. et al.
, (1972)
Chromium-Catalyzed Production of Diols From Olefins
-
Paragraph 0111, (2021/03/19)
Processes for converting an olefin reactant into a diol compound are disclosed, and these processes include the steps of contacting the olefin reactant and a supported chromium catalyst comprising chromium in a hexavalent oxidation state to reduce at least a portion of the supported chromium catalyst to form a reduced chromium catalyst, and hydrolyzing the reduced chromium catalyst to form a reaction product comprising the diol compound. While being contacted, the olefin reactant and the supported chromium catalyst can be irradiated with a light beam at a wavelength in the UV-visible spectrum. Optionally, these processes can further comprise a step of calcining at least a portion of the reduced chromium catalyst to regenerate the supported chromium catalyst.
An Engineered Alcohol Oxidase for the Oxidation of Primary Alcohols
Heath, Rachel S.,Birmingham, William R.,Thompson, Matthew P.,Taglieber, Andreas,Daviet, Laurent,Turner, Nicholas J.
, p. 276 - 281 (2019/01/04)
Structure-guided directed evolution of choline oxidase has been carried out by using the oxidation of hexan-1-ol to hexanal as the target reaction. A six-amino-acid variant was identified with a 20-fold increased kcat compared to that of the wild-type enzyme. This variant enabled the oxidation of 10 mm hexanol to hexanal in less than 24 h with 100 % conversion. Furthermore, this variant showed a marked increase in thermostability with a corresponding increase in Tm of 20 °C. Improved solvent tolerance was demonstrated with organic solvents including ethyl acetate, heptane and cyclohexane, thereby enabling improved conversions to the aldehyde by up to 30 % above conversion for the solvent-free system. Despite the evolution of choline oxidase towards hexan-1-ol, this new variant also showed increased specific activities (by up to 100-fold) for around 50 primary aliphatic, unsaturated, branched, cyclic, benzylic and halogenated alcohols.
