Allyl isothiocyanate (CAS 57-06-7) — formula C4H5NS, molecular weight 99.01 g/mol.
| CAS Number | 57-06-7 |
|---|---|
| Molecular Formula | C4H5NS |
| Molecular Weight | 99.01 g/mol |
| Melting Point | -112 °F (NTP, 1992) |
| Boiling Point | 304 °F at 760 mmHg (NTP, 1992) |
| LogP | 2.4 |
| Packaging | 25/50kg 编织袋、20/25/50kg 纸板桶、200kg 塑料桶、1000kg IBC（以订单确认为准） |
| Applications | 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。 |
Documented applications: 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.
Allyl isothiocyanate is a chemical compound with CAS registry number 57-06-7 and molecular formula C4H5NS (molecular weight 99.01 g/mol).
CAS number: 57-06-7
Its molecular formula C4H5NS comprises 4 C, 5 H, 1 N, 1 S atoms.
Also known as: Allyl isothiocyanate · 异硫氰酸烯丙酯
The CAS registry number of Allyl isothiocyanate is 57-06-7.
Molecular formula C4H5NS, molecular weight 99.01 g/mol.
It is also registered under: Allyl isothiocyanate, 异硫氰酸烯丙酯.
Recorded applications: 典型应用领域：食品增香, 日化。规格, 纯度：以批次 COA 为准。包装：25, 50kg 编织袋, 20, 25, 50kg 纸板桶, 200kg 塑料桶, 1000kg IBC（以订单确认为准）。储存：阴凉干燥, 避光, 密封保存, 开封后尽快使用。样品 10~100g 或 100~500g, 贸易条款 FOB, CIF, CFR, 每批随附 COA, MSDS, SDS 按需。.
Independent reference data for Allyl isothiocyanate (CAS 57-06-7), compiled from public chemistry databases.
| CAS 号 | 57-06-7 |
|---|---|
| PubChem CID | 5971 |
| 分子式 | C4H5NS |
| 分子量 | 99.01 g/mol |
| IUPAC 名称 | 3-isothiocyanatoprop-1-ene |
| InChIKey | ZOJBYZNEUISWFT-UHFFFAOYSA-N |
| UNII（FDA） | BN34FX42G3 |
| ChEBI 编号 | CHEBI:73224 |
| FEMA 编号 | 2034 |
| JECFA 编号 | 1560 |
| Molecular Weight | 99.16 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 2 |
| Exact Mass | 99.01427034 |
| Monoisotopic Mass | 99.01427034 |
| Topological Polar Surface Area | 44.5 |
| Heavy Atom Count | 6 |
| Boiling Point | 304 °F at 760 mmHg (NTP, 1992) |
|---|---|
| Boiling Point | 152 °C |
| Boiling Point | 150.00 to 152.00 °C. @ 760.00 mm Hg |
| Boiling Point | 148-154 °C |
| Boiling Point | 150-151 °C |
| Boiling Point | 150.7 °C @760 [mm Hg] |
| Melting Point | -112 °F (NTP, 1992) |
| Melting Point | -80 °C |
| Melting Point | -102.5 °C |
| Flash Point | 115 °F (NTP, 1992) |
ALLYL ISOTHIOCYANATE; 57-06-7; 3-isothiocyanatoprop-1-ene; AITC; Redskin; Allylsenfoel; Allylsenevol; Oleum sinapis; Allyl isosulfocyanate; Allylsevenolum; Senfoel; 3-Isothiocyanato-1-propene; 2-Propenyl isothiocyanate; Allyspol; Carbospol; 1-Propene, 3-isothiocyanato-
| 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 Garlic, Pungent, Sulfur Volatile oil of mustard |
|---|---|
| GHS 通报统计 | 0.3% (5 / 1488) |
| GHS 通报统计 | 0.3% (5 / 1488) |
|---|---|
| 已通报的危害声明 | H226 (98.6%), H301 (97.4%), H310 (97.2%), H315 (95%), H319 (97.1%), H330 (95.4%), H400 (99.4%), H410 (99.3%) |
异硫氰酸烯丙酯 的 CAS 号为 57-06-7，分子式 C4H5NS，分子量 99.01 g/mol。 UNII BN34FX42G3; ChEBI 73224; InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N. Boiling Point: 304 °F at 760 mmHg (NTP, 1992); Boiling Point: 152 °C; Boiling Point: 150.00 to 152.00 °C. @ 760.00 mm Hg.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 异硫氰酸烯丙酯