trans-4-Phenyl-3-buten-2-one (CAS 1896-62-4) — formula C10H10O, molecular weight 146.07 g/mol; category organic chemicals.
Documented applications: Uses: Used in perfumes and flavors and as a reagent, [Merck Index], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, IFRA Fragrance Standards: Benzylidene acetone, 4-Phenyl-3-buten-2-one, 3-Buten-2-one, 4-phenyl-, Benzilideneacetone, Methyl styryl ketone, IFRA_STD_113.pdf, 40, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Prohibition: This material should not be used as a fragrance ingredient, DERMAL SENSITIZATION, This material should not be used as a fragrance ingredient..
trans-4-Phenyl-3-buten-2-one is a carbon-based organic compound with CAS registry number 1896-62-4 and molecular formula C10H10O (molecular weight 146.07 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 1896-62-4
Its molecular formula C10H10O comprises 10 C, 10 H, 1 O atoms.
Also known as: trans-4-Phenyl-3-buten-2-one · Benzalacetone · Benzylideneacetone
Category: organic chemicals
The CAS registry number of trans-4-Phenyl-3-buten-2-one is 1896-62-4.
Molecular formula C10H10O, molecular weight 146.07 g/mol.
It is also registered under: trans-4-Phenyl-3-buten-2-one, Benzalacetone, Benzylideneacetone.
Recorded applications: Uses: Used in perfumes and flavors and as a reagent, [Merck Index], Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, IFRA Fragrance Standards: Benzylidene acetone, 4-Phenyl-3-buten-2-one, 3-Buten-2-one, 4-phenyl-, Benzilideneacetone, Methyl styryl ketone, IFRA_STD_113.pdf, 40, IFRA 51st Amendment - Guidance for the use of IFRA Standards, Prohibition: This material should not be used as a fragrance ingredient, DERMAL SENSITIZATION, This material should not be used as a fragrance ingredient..
Category: Organic Chemicals.
Public-database records for trans-4-Phenyl-3-buten-2-one (CAS 1896-62-4), reproduced here for independent cross-checking.
| GHS 通报统计 | 2.6% (50 / 1901) |
|---|---|
| 已通报的危害声明 | H315 (84.2%), H317 (97.3%), H319 (97.7%), H335 (95.3%) |
| 法规与食品接触 | FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 909-JECFA 57/61 FAS 48-JECFA 57/117 |
|---|---|
| GHS 通报统计 | 2.6% (50 / 1901) |
| 沸点 | 262.00 °C. @ 760.00 mm Hg |
|---|---|
| 熔点 | 41.5 °C |
| 蒸气压 | 0.009 [mmHg] |
| LogP | 2.07 |
| CAS 号 | 1896-62-4 |
|---|---|
| PubChem CID | 637759 |
| 分子式 | C10H10O |
| 分子量 | 146.07 g/mol |
| IUPAC 名称 | (E)-4-phenylbut-3-en-2-one |
| InChIKey | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| UNII（FDA） | B03X40BMT5 |
| ChEBI 编号 | CHEBI:78399 |
| JECFA 编号 | 820 |
Benzylideneacetone; Benzalacetone; Acetocinnamone; Benzylidene acetone; Styryl methyl ketone; Benzalaceton; 4-Phenylbutenone; Benzilideneacetone; Benzilidene acetone; 2-Phenylvinyl methyl ketone; Ketone, methyl styryl; Methyl 2-phenylvinyl ketone; (3E)-4-phenylbut-3-en-2-one; Methyl beta-styryl ketone; 4-Phenyl-3-butene-2-one; (3E)-4-Phenyl-3-buten-2-one
| 分子量 | 146.19 |
|---|---|
| XLogP3 | 2.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 1 |
| 可旋转键数 | 2 |
| 精确质量 | 146.073164938 |
| 单同位素质量 | 146.073164938 |
| 拓扑极性表面积 | 17.1 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
苄叉丙酮 的 CAS 号为 1896-62-4，分子式 C10H10O，分子量 146.07 g/mol。 UNII B03X40BMT5; ChEBI 78399; InChIKey BWHOZHOGCMHOBV-BQYQJAHWSA-N. 沸点: 262.00 °C. @ 760.00 mm Hg; 熔点: 41.5 °C; 蒸气压: 0.009 [mmHg].
Source: PubChem / Wikidata; the batch COA governs where values differ.
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