基本情報
- CAS
1335-66-6- 標準SMILES
CC1=CC(C)C(C=O)C(C)C1- InChIKey
YJSUCBQWLKRPDL-UHFFFAOYSA-N- 分子式
- C10H16O
- 平均分子量
- 152.23 g/mol
- 単同位体質量
- 152.12011513
名称と識別子
- 優先名称
- Vertonal
- IUPAC
- 2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
- 現地名
- 2,4,6-トリメチル-3-シクロヘキセン-1-カルボアルデヒド
- 英語名
- 2,4,6-Trimethyl-3-cyclohexen-1-carboxaldehyde
- 分子式
- C10H16O
- 分子量
- 152.23
名称と別名
1423-46-7Vertonal3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-2,4,6-Trimethylcyclohex-3-enecarbaldehyde2,4,6-Trimethyl-3-cyclohexene-1-carboxaldehyde2,4,6-Trimethyl-3-cyclohexene-1-carbaldehyde2,4,6-Trimethyl-4-cyclohexene-1-carboxaldehyde3RP77Q40LCEINECS 215-833-7NSC 406736NSC-406736AI3-07328
名称をさらに表示
2,4,6-トリメチル-3-シクロヘキセン-1-カルボアルデヒド2,4,6-Trimethylcyclohex-3-encarbaldehyd2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde2,4,6-Trimethyl-3-cyclohexen-1-carboxaldehyde2,4,6-trimethyl-3-cyclohexene-1-carboxaldehyd2,4,6-TRIMETHYL-3-CYCLOHEXENE-1-CARBOXALDEHYDEE
DTXSID50526783-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl2,4,6-TRIMETHYL-3-CYCLOHEXENYLCARBALDEHYDE2,4,6-TRIMETHYL-3-CYCLOHEXENYLCARBOXALDEHYDERefChem:901819DTXCID6024541215-833-7(1S,2S,6R)-2,4,6-trimethylcyclohex-3-ene-1-carbaldehyde
データベース識別子
- CAS
1335-66-6、1423-46-7- PubChem CID
- 101150
- DTXSID
DTXSID5052678- ChEMBL
CHEMBL3186544- UNII
- 3RP77Q40LC
- EC Number
- 215-833-7
- Nikkaji
- J298.611F
物性
構造計算による物性
- XLogP
- 1.9
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 1
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 181
実験および物理化学的性質
FragrancesFragrance Ingredient (2,4,6-Trimethylcyclohex-3-enecarbaldehyde) -> IFRA transparency List
LogP2.870
Solubility106 mg/L @ 20 °C (exp)
Boiling Point214.00 °C. @ 760.00 mm Hg
Melting Point-55.00 °C. @ 760.00 mm Hg
物理化学的性質
- 沸点
- 54 °C · 54 °C(Press: 6 Torr)
- 比重(密度)
- 0.9203 g/cm3 · 0.9203 g/cm3
- 蒸気圧
- 83 Pa · 83Pa at 25℃
- 水溶解度
- 218 mg/L · 218mg/L at 20℃
- 化粧品成分の機能
- 香料
- LogP
- 3.1 · 3.1
- EPAの化学物質情報
- 3 · 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl- (1423-46-7)
安全と法規制
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。
GHS分類
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H315 (46%): Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P272, P273, P280, P284, P302+P352, P304+P340, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-
REACH registered substance: 2,4,6-trimethylcyclohex-3-enecarbaldehyde (EC: 215-833-7)
Other Safety InformationIMAP assessments - 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-: Environment tier I assessment
Hazard Classes and Categories
Skin Irrit. 2 (46%)
Skin Sens. 1B
安全データ
- tsca
- TSCA listed
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-: ACTIVE
サプライヤー6 社
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
金溪华香香料有限公司13517948059 · [email protected]
関連反応
2 件
化合物ノート
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