基本情報
- CAS
2173-57-1- 標準SMILES
CC(C)COc1ccc2ccccc2c1- InChIKey
XOHIHZHSDMWWMS-UHFFFAOYSA-N- 分子式
- C14H16O
- 平均分子量
- 200.28 g/mol
- 単同位体質量
- 200.12011513
概要
2-(2-Methylpropoxy)naphthalene is a member of naphthalenes.
名称と識別子
- 優先名称
- 2-(2-Methylpropoxy)naphthalene
- IUPAC
- 2-(2-methylpropoxy)naphthalene
- 現地名
- 2-イソブトキシナフタレン
- 英語名
- 2-Isobutoxynaphthalene
- 分子式
- C14H16O
- 分子量
- 200.28
名称と別名
2173-57-12-(2-Methylpropoxy)naphthaleneNerolin fragarolIsobutyl 2-naphthyl etherbeta-Naphthyl isobutyl etherNaphthalene, 2-(2-methylpropoxy)-Naphthalene, 2-isobutoxy-Isobutyl beta-naphthyl etherETHER, ISOBUTYL(2-NAPHTHYL)FEMA No. 3719KX47O2O15CEINECS 218-529-2
名称をさらに表示
2-イソブトキシナフタレンイソブチル2-ナフチルエーテル2-(2-メチルプロポキシ)ナフタレン(2-メチルプロピル)2-ナフチルエーテルβ-ナフチルイソブチルエ-テル２イソブトキシナフタレン2-ナフチルイソブチルエーテルFEMA 3719fragarolFRAGAROLEnerolinfragarolISOBUTOXYNAPHTHALENE2-isobutoxy-naphthalen2-IsobutoxynaphthaleneNAPHTHALENE, 2-ISOBUTOXY2-Isobutyloxynaphthaleneb-NAPTHYL ISOBUTYL ETHER
BRN 3242529DTXSID1051484NAPHTHYL ISOBUTYL ETHER, 2-.BETA.-NAPHTHYL ISOBUTYL ETHER [FHFI]3-06-00-02973 (Beilstein Handbook Reference)RefChem:454243DTXCID3030422Naphthalene, 2-isobutoxy-(7CI,8CI)
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 9.2 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
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 188
実験および物理化学的性質
FragrancesFragrance Ingredient (beta-Naphthyl isobutyl ether) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
0.00123 mg/mL
Insoluble in water, soluble in oils
soluble (in ethanol)
Boiling Point308.00 to 309.00 °C. @ 760.00 mm Hg
Melting Point33 °C
Physical Description
Solid
White crystal leaves, sweet, fruity, delicately neroli-orange blossom floral aroma
物理化学的性質
- 融点
- 31.75 °C · 31.75°C
- 沸点
- 305.75 °C · 305.75°C (estimate)
- 比重(密度)
- 0.9858 · 0.9858 (rough estimate)
- 蒸気圧
- 0.15 Pa · 0.15Pa at 24℃
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 97.4% (223 of 229) of all reports.
Not Classified
Aggregated GHS information provided per 229 reports by companies from 3 notifications to the ECHA C&L Inventory.
危険有害性情報
Regulatory Information
Chemical: Naphthalene, 2-(2-methylpropoxy)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Isobutyl 2-naphthyl ether (EC: 218-529-2)
Naphthalene, 2-(2-methylpropoxy)-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesNot Classified
安全データ
- tsca
- TSCA listed
- rtecs
- KO1255000
- 毒性
- rabbit,LD50,skin,> 5gm/kg (5000mg/kg),Food and Chemical Toxicology. Vol. 30, Pg. 95S, 1992.
- hs_code
- 2909.30.6000
- 化審法
- (4)-362
- 消防法
- 危-4-2-III
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationNaphthalene, 2-(2-methylpropoxy)-: ACTIVE
応用分野
説明β-Naphthyl isobutyl ether has a sweet, fruity, delicately neroli- orange blossom floral odor. This substance may be prepared by simple etherification of naphthol with a surplus of isobutanol under reflux in the presence of sulfuric acid.
調製方法
製造方法By simple etherification of naphthol with a surplus of isobutanol under reflux in the presence of sulfuric acid.
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