o-アニスアルデヒド
2-Methoxybenzaldehyde
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基本情報
- CAS
135-02-4- 標準SMILES
COc1ccccc1C=O- InChIKey
PKZJLOCLABXVMC-UHFFFAOYSA-N- 分子式
- C8H8O2
- 平均分子量
- 136.15 g/mol
- 単同位体質量
- 136.0524295
概要
2-Methoxybenzaldehyde is a carbonyl compound.
名称と識別子
- 優先名称
- 2-Methoxybenzaldehyde
- IUPAC
- 2-methoxybenzaldehyde
- 現地名
- o-アニスアルデヒド
- 英語名
- o-Anisaldehyde
- 分子式
- C8H8O2
- 分子量
- 136.15
名称と別名
2-METHOXYBENZALDEHYDEo-AnisaldehydeBenzaldehyde, 2-methoxy-o-Methoxybenzaldehyde2-methoxy-benzaldehydeFormylanisole, o-DTXSID1051690EINECS 205-171-7UNII-7CP821WF2WNSC 58960BRN 06063017CP821WF2W
名称をさらに表示
o-アニスアルデヒドo-メトキシベンズアルデヒド2-メトキシベンゼンカルボアルデヒドサリチルアルデヒドメチルエーテル2-メトキシベンズアルデヒドメトキシベンズアルデヒドO‐アニスアルデヒドベンズアルデヒド, 2-メトキシ-ortho-anisaldehyde2-ANISALDEHYDEo-Anisaldehyde, 98% 100GRo-Anisaldehyde：2-MethoxybenzaldehydeNc 064O-formylanisole
o-methoxy benzaldehydeo-methoxy-benzaldehydeO-Anisaldehyde, 8CIAI3-01375NSC-58960O-ANISALDEHYDE [FHFI]METHOXYBENZALDEHYDE, O-DTXCID0030245
データベース識別子
- CAS
135-02-4- PubChem CID
- 8658
- DTXSID
DTXSID1051690- ChEMBL
CHEMBL396295- ChEBI
CHEBI:172139- UNII
- 7CP821WF2W
- EC Number
- 205-171-7
- Nikkaji
- J5.602B
物性
構造計算による物性補完中
- XLogP
- 1.7
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 2
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 112
実験および物理化学的性質
Chemical ClassesOther Classes -> Benzaldehydes
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (o-Methoxybenzaldehyde) -> IFRA transparency List
LogP1.72
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Soluble in water and propylene glycol
Soluble (in ethanol)
Boiling Point238.00 °C. @ 760.00 mm Hg
Melting Point39 °C
Vapor Pressure0.12 [mmHg]
Physical Description
Light yellow solidified mass or fragments; mp = 34-40 deg C; [Sigma-Aldrich MSDS]
Solid
Light yellow solid; Sweet powdery hawthorn, vanilla and almond aroma
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
This chemical does not meet GHS hazard criteria for 0.2% (3 of 1457) of reports.
Warning
H315 (99.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1457 reports by companies from 13 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: Benzaldehyde, 2-methoxy-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
2-Methoxybenzaldehyde: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzaldehyde, 2-methoxy-: Human health tier I assessment
Hazards SummaryCauses lacrimation, somnolence, and changes in salivary glands in oral lethal-dose studies of mice; [RTECS] An irritant; [Sigma-Aldrich MSDS] See Benzaldehyde.
Hazard Classes and CategoriesSkin Irrit. 2 (99.8%)
安全データ
- F
- 9-23
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- BZ2610000
- 毒性
- LD50 orally in Rabbit: 2500 mg/kg LD50 dermal Rabbit > 5000 mg/kg
- hs_code
- 29124900
化学と産業
薬理情報
Cellular LocationsCytoplasm
用途と製造
UsesUsed as flavoring agent or adjuvant; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationBenzaldehyde, 2-methoxy-: ACTIVE
応用分野
説明o-Methoxybenzaldehyde has a faint, sweet, floral odor. It blends well with cassia. It has a spice-like flavor, quite bitter above 30 - 40 ppm. May be prepared from salicylaldehyde and dimethyl sulfate in weak alkaline solution.
天然物の起源Reported found in Cassia oil, cinnamon bark, and Cinnamon bark oil (Cinnamomum zeylanicum Blume), Sri Lanka (0.09–0.15%)
使用Intermediate.
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