499-44-5CC(C)c1cccc(O)c(=O)c1FUWUEFKEXZQKKA-UHFFFAOYSA-NBeta-thujaplicin is a monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities. It has a role as an antibacterial agent, an antineoplastic agent, an antifungal agent, an antiplasmodial drug and a plant metabolite. It is a monoterpenoid, an enol and a cyclic ketone. It derives from a hydride of a cyclohepta-1,3,5-triene.
499-44-5DTXSID6043911CHEMBL48310CHEBI:10447安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 106 reports by companies from 2 notifications to the ECHA C&L Inventory.
Chemical: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-
2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)-: Does not have an individual approval but may be used under an appropriate group standard
The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- as described in this safety assessment. Data show that it is not genotoxic. The repeated dose, reproductive, and local respiratory toxicity endpoints were evaluated using the Threshold of Toxicological Concern (TTC) for a Cramer Class I material, and the exposure to 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- is below the TTC (0.03 mg/kg/day, 0.03 mg/kg/day, and 1.4 mg/day, respectively). The skin sensitization endpoint was completed using the Dermal Sensitization Threshold (DST) for reactive materials (64 μg/cm2); exposure is below the DST. Based on data, 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- is a photoirritant but is not a concern under the current declared use levels. 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- has not been fully evaluated for photoallergenicity.
The existing information was reviewed by the independent Expert Panel for Fragrance Safety and supports the use of 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- as described in this safety assessment. For the hazard assessment based on the screening data, 2,4,6-cycloheptatrien-1-one, 2-hydroxy-4-(1-methylethyl)- was found not to be Persistent, Bioaccumulative, and Toxic (PBT) as per the International Fragrance Association (IFRA) Environmental Standards, and its risk quotients, based on its current volume of use (VoU) in Europe and North America (i.e., Predicted Environmental Concentration/Predicted No Effect Concentration [PEC/PNEC]), are less than 1.
Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.
Agents obtained from higher plants that have demonstrable cytostatic or antineoplastic activity.
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems.
Fragrance Ingredients
Cosmetics -> Antistatic; Hair conditioning
解説ヒノキチオール,4-イソプロピルトロポロンともいう.タイワンヒノキChamaecyparis taiwanensisの精油の酸性成分から単離されたので,この名称が与えられたが,ヒバなどの精油中にも見いだされている.無色の柱状結晶.融点52~53 ℃,沸点140 ℃(1.3 kPa).d2041.094.n20D1.607.pKa 7.21.λmax 236,322,353 nm(log ε 4.37,3.72,3.66).鉄(Ⅲ)錯体は暗赤色の結晶.融点250~251 ℃.銅(Ⅱ)錯体は緑色の結晶.融点177~178 ℃.親電子試薬は3,5および7位に反応して種々の置換体を与える.
用途医薬品原料、防腐剤の研究用。
説明Hinokitiol (β-thujaplicin) is a natural monoterpenoid found in the wood of trees in the family Cupressaceae. It is a tropolone derivative and one of the thujaplicins.Hinokitiol is used in oral and skin care products,and is a food additive used in Japan.
使用Hinokitiol is a natural monoterpenoid found in the wood of trees in the family Cupressaceae. It is a tropolone derivative and one of the thujaplicins. Hinokitiol has inhibitory effects on Chlamydia trachomatis and may be clinically useful as a topical drug.
定義本品は、次の化学式で表される環式アルコールである。
定義ChEBI: A monoterpenoid that is cyclohepta-2,4,6-trien-1-one substituted by a hydroxy group at position 2 and an isopropyl group at position 4. Isolated from Thuja plicata and Chamaecyparis obtusa, it exhibits antimicrobial activities.
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