p-Methoxyacetophenone (CAS 100-06-1) — formula C9H10O2, molecular weight 150.07 g/mol.
Documented applications: Uses: Used as flavoring agent or adjuvant, [FDA], Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8333], Useful in vanilla, nut, tobacco and butter flavors., Perfumery (for floral odors), flavoring., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, Methods of Manufacturing: From anisole and acetyl chloride in the presence of aluminum chloride and carbon disulfide, from anisole and acetic acid in the presence of boron trifluoride., It is prepared by Friedel-Crafts acetylation of anisole., Formulations, Preparations: Grade: Technical, FCC, Food Chemicals Codex, ., U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: 50, 2021: <50, 2020: <50, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Ethanone, 1-(4-methoxyphenyl)-: ACTIVE.
p-Methoxyacetophenone is a chemical compound with CAS registry number 100-06-1 and molecular formula C9H10O2 (molecular weight 150.07 g/mol).
CAS number: 100-06-1
Its molecular formula C9H10O2 comprises 9 C, 10 H, 2 O atoms.
Also known as: p-Methoxyacetophenone · 4-Methoxy Acetophenone
The CAS registry number of p-Methoxyacetophenone is 100-06-1.
Molecular formula C9H10O2, molecular weight 150.07 g/mol.
It is also registered under: p-Methoxyacetophenone, 4-Methoxy Acetophenone.
Recorded applications: Uses: Used as flavoring agent or adjuvant, [FDA], Reported uses (ppm):, Table: Reported uses (ppm): (Flavor and Extract Manufacturers' Association, 1994) [Table#8333], Useful in vanilla, nut, tobacco and butter flavors., Perfumery (for floral odors), flavoring., Use Classification: Fragrance Ingredients, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Industry Uses: Fragrance, Consumer Uses: Fragrance, Methods of Manufacturing: From anisole and acetyl chloride in the presence of aluminum chloride and carbon disulfide, from anisole and acetic acid in the presence of boron trifluoride., It is prepared by Friedel-Crafts acetylation of anisole., Formulations, Preparations: Grade: Technical, FCC, Food Chemicals Codex, ., U.S. Production: 2023: 50, 000 - <250, 000 lb, 2022: 50, 2021: <50, 2020: <50, General Manufacturing Information: Soap, Cleaning Compound, and Toilet Preparation Manufacturing, Plastics Material and Resin Manufacturing, All Other Chemical Product and Preparation Manufacturing, Ethanone, 1-(4-methoxyphenyl)-: ACTIVE.
Public-database records for p-Methoxyacetophenone (CAS 100-06-1), reproduced here for independent cross-checking.
| 已通报的危害声明 | H302 (100%), H315 (12.7%), H319 (10.1%) |
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| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Bitter No safety concern at current levels of intake when used as a flavouring agent |
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| 沸点 | 254 °C |
|---|---|
| 沸点 | 152.00 to 154.00 °C. @ 26.00 mm Hg |
| 沸点 | 153 °C (26 mm Hg) |
| 熔点 | 38.2 °C |
| 熔点 | 38 - 39 °C |
| 闪点 | 138 °C (280 °F) - open cup |
| 密度 | 1.0818 g/cu cm at 41 °C |
| 蒸气压 | 0.00644 [mmHg] |
| 蒸气压 | 6.44X10-3 mm Hg at 25 °C |
| LogP | log Kow = 1.74 |
| CAS 号 | 100-06-1 |
|---|---|
| PubChem CID | 7476 |
| 分子式 | C9H10O2 |
| 分子量 | 150.07 g/mol |
| IUPAC 名称 | 1-(4-methoxyphenyl)ethanone |
| InChIKey | NTPLXRHDUXRPNE-UHFFFAOYSA-N |
| UNII（FDA） | 0IRH2BR587 |
| ChEBI 编号 | CHEBI:86567 |
| FEMA 编号 | 2005 |
| JECFA 编号 | 810 |
4'-Methoxyacetophenone; 100-06-1; 4-Methoxyacetophenone; 4-Acetylanisole; 1-(4-Methoxyphenyl)ethanone; Novatone; Linarodin; 1-(4-methoxyphenyl)ethan-1-one; Vananote; Ethanone, 1-(4-methoxyphenyl)-; 4-Methoxyphenyl methyl ketone; Acetophenone, 4'-methoxy-; p-Methoxyphenyl methyl ketone; Methyl p-methoxyphenyl ketone; 4-Methoxyacetofenon; FEMA No. 2005
| 分子量 | 150.17 |
|---|---|
| XLogP3 | 1.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 2 |
| 精确质量 | 150.068079557 |
| 单同位素质量 | 150.068079557 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
对甲氧基苯乙酮 的 CAS 号为 100-06-1，分子式 C9H10O2，分子量 150.07 g/mol。 UNII 0IRH2BR587; ChEBI 86567; InChIKey NTPLXRHDUXRPNE-UHFFFAOYSA-N. 沸点: 254 °C; 沸点: 152.00 to 154.00 °C. @ 26.00 mm Hg; 沸点: 153 °C (26 mm Hg).
Source: PubChem / Wikidata; the batch COA governs where values differ.
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