基本情報
- CAS
673-84-7- 標準SMILES
CC=C(C)C=CC=C(C)C- InChIKey
GQVMHMFBVWSSPF-UHFFFAOYSA-N- 分子式
- C10H16
- 平均分子量
- 136.23 g/mol
- 単同位体質量
- 136.12520051
概要
2,6-Dimethyl-2,4,6-octatriene has been reported in Citrus reticulata, Curcuma mangga, and other organisms with data available.
名称と識別子
- 優先名称
- 2,6-Dimethylocta-2,4,6-triene
- IUPAC
- 2,6-dimethylocta-2,4,6-triene
- 現地名
- 2,6-ジメチル-2,4,6-オクタトリエン
- 英語名
- 2,6-Dimethyl-2,4,6-octatriene
- 分子式
- C10H16
- 分子量
- 136.23
名称と別名
2,6-Dimethylocta-2,4,6-trieneRefChem:4457332,6-Dimethyl-2,4,6-octatriene673-84-7DTXSID4027288(e,z)-alloocimene(E,E)-2,6-Dimethylocta-2,4,6-triene(4E,6Z)-2,6-Dimethyl-2,4,6-octatriene(4E,6Z)-2,6-dimethylocta-2,4,6-trieneSCHEMBL58047orb1705717SCHEMBL10604649
名称をさらに表示
2,6-ジメチル-2,4,6-オクタトリエンcis-Allo-オシメン(4Z)-2,6-ジメチル-2,4,6-オクタトリエンアロオシメン2,6-ジメチル-2,4,6-オクタトリエン (異性体混合物)ALLOOCIMENE2,4,6-Octatriene, 2,6-dimethyl-cis-Allo-ocimene2,6-DiMethyl-2,4,6-octatriene (Mixture of isoMers)AI300737AI3 00737AI3-00737CID 12658ALLOCYMENEOcimene, A110
GQVMHMFBVWSSPF-UHFFFAOYSA-N2,6-Dimethyl-2,4,6-octatriene, 80%FD179609NS00079762NS00081189W-109590Q27162288
データベース識別子
物性
構造計算による物性
- XLogP
- 4.2
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 0
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 164
実験および物理化学的性質
SpringerMaterials PropertiesDielectric constant
FragrancesFragrance Ingredient (2,6-Dimethylocta-2,4,6-triene) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
物理化学的性質
- 融点
- -25.5 °C · -25.5°C
- 沸点
- 73 · 73-75 °C/14 mmHg (lit.)
- 比重(密度)
- 0.811 g/mL · 0.811 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n 20/D 1.542 (lit.)
- 闪点
- 69 °C · 69 °C - closed cup
- 貯蔵温度
- 2 · 2-8°C
- 外見
- liquid
- 臭い (Odor)
- 100 %で。甘い花柄ナッツの皮ペッパーのようなハーブのトロピカル · 100.00%で。甘い花柄ナッツの皮ペッパーのようなハーブのトロピカル
- においのタイプ
- 花柄
- BRN
- 1719993 · 1719993
- 化粧品成分の機能
- 香料
- InChI
- 1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
- InChIKey
- GQVMHMFBVWSSPF-SOYUKNQTSA-N
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
Danger
H226 (80.8%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P331, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1598 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 2,4,6-Octatriene, 2,6-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2,4,6-Octatriene, 2,6-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (80.8%)
安全データ
- F
- 10-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RH2010000
- ridadr
- 1993
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 23-24/25
- hazard_class
- 3.2
- packing_group
- III
- Hazard Classifications
- Acute Tox. 4 Oral
- ストレージクラス
- 10 - Combustible liquids
化学と産業
用途と製造
Use ClassificationFragrance Ingredients
General Manufacturing Information2,4,6-Octatriene, 2,6-dimethyl-: ACTIVE
応用分野
使用Component of varnishes and a variety of polymers; fragrance.
一般的な説明2,6-Dimethyl-2,4,6-octatriene (allo-ocimene) is one of the major constituents of Fissistigma maclurei Merr. It was identified in Alphanso mangoes using GC-MS.
調製方法
純化方法Fractionally distil allocimene through an efficient column and repeatedly distil it at 15mm through a long column of glass helices, with a final distillation from sodium under nitrogen. It should be stabilised with ca 0.1% of hydroquinone. UV: max nm( 1cm-1) 290 (32 500), 279 (41 900) and 278 (42,870). [Alder et al. Justus Liebigs Ann Chem 609 1 1957, O’Connor & Goldblatt Anal Chem 26 1726 1954, Beilstein 1 IV 1106.]
上流・下流製品情報
上流原料
関連反応
2 件
化合物ノート
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