1-(Cyclopropylmethyl)-4-methoxybenzene

HCID 6422476
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基本情報

CAS
16510-27-3
標準SMILES
COc1ccc(CC2CC2)cc1
InChIKey
SHLSJFDJYSSUIP-UHFFFAOYSA-N
分子式
C11H14O
平均分子量
162.23 g/mol
単同位体質量
162.10446507

名称と識別子

優先名称
1-(Cyclopropylmethyl)-4-methoxybenzene
IUPAC
1-(cyclopropylmethyl)-4-methoxybenzene
英語名
1-Cyclopropylmethyl-4-methoxybenzene
分子式
C11H14O
分子量
162.23

名称と別名

1-(cyclopropylmethyl)-4-methoxybenzene16510-27-3Benzene, 1-(cyclopropylmethyl)-4-methoxy-B5O4EJ2WVYUNII-B5O4EJ2WVYDTXSID1051773FEMA NO. 4759ANISOLE, P-(CYCLOPROPYLMETHYL)-1-CYCLOPROPANEMETHYL-4-METHOXYBENZENEsassafras acetateRefChem:74662Anisole, p-(cyclopropylmethyl)
名称をさらに表示
Toscanol 0014203
DTXCID00303281-CYCLOPROPYLMETHYL-4-METHOXYBENZENECHEMBL1766831-Cyclopropylmethyl-4-methoxy-benzene1-(Cyclopropylmethyl)-4-(methyloxy)benzene4-methoxybenzylcyclopropaneSCHEMBL622656SCHEMBL8055688

データベース識別子

CAS
16510-27-3
PubChem CID
6422476
DTXSID
DTXSID1051773
ChEMBL
CHEMBL176683
UNII
B5O4EJ2WVY
EC Number
444-110-0、639-033-6
Nikkaji
J3.781.875E

物性

構造計算による物性

XLogP
3.7
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
12

実験および物理化学的性質

FragrancesFragrance Ingredient (1-Cyclopropylmethyl-4-methoxybenzene) -> IFRA transparency List
Density0.9849-0.9900
Solubility · 2 件

Practically insoluble to insoluble

Soluble (in ethanol)

Boiling Point238-240 °C
Refractive Index1.5228-1.5260
Physical Description · 2 件

Liquid

Clear colourless liquid, Anise-like sweet, spicy aroma

物理化学的性質

沸点
112 · 112-113 °C(Press: 12 Torr)
比重(密度)
1.042 · 1.042±0.06 g/cm3(Predicted)
蒸気圧
1.13 Pa · 1.13Pa at 20℃
FEMA
4759 · 4759 | 1-CYCLOPROPANEMETHYL-4-METHOXYBENZENE
臭い (Odor)
10 %。スイートアニシック · ジプロピレングリコール中10.00%。スイートアニシック タラゴン アニス スパイシー サッサフラス ブラックリコリス ルートビア ハーブ
においのタイプ
アニス系

化学的性質

化学的特性1-(Cyclopropylmethyl)-4-methoxybenzene has a powerful, anise-like, sweet–spicy note reminding estragole. It is obtained from estragole by Simmons–Smith cyclopropanation.

安全と法規制

GHS分類

GHS Classification · 6 件

Warning

H317 (99.8%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1291 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzene, 1-(cyclopropylmethyl)-4-methoxy-

Benzene, 1-(cyclopropylmethyl)-4-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-(cyclopropylmethyl)-4-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

REACH registered substance: 1-cyclopropylmethyl-4-methoxybenzene (EC: 444-110-0)

Hazard Classes and Categories · 2 件

Skin Sens. 1 (99.8%)

Skin Sens. 1B (100%)

安全データ

tsca
TSCA listed

化学と産業

用途と製造

U.S. Production2023: 41,120 lb
Consumer UsesFragrance
Industry UsesFragrance
Use Classification · 3 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

Benzene, 1-(cyclopropylmethyl)-4-methoxy-: ACTIVE

サプライヤー14 社

江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
吉良化学21-62165282 · [email protected]
湖北微斯汀科技有限公司027-61182895 13367240285 · [email protected]
泰安嘉岳生物化工有限公司15318151873 · [email protected]

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