2-benzylidene-1-heptano
2-pentyl-3-phenylprop-2-en-1-ol
CAS: 101-85-9
Molecular Formula: C14H20O
2-benzylidene-1-heptano - Names and Identifiers
| Name | 2-pentyl-3-phenylprop-2-en-1-ol |
| Synonyms | AMYLCINNAMYLICALCOHOL 2-benzylidene-1-heptano 2-Benzylideneheptan-1-ol 1-Heptanol, 2-benzylidene- 2-(phenylmethylene)-1-heptano 2-(phenylmethylene)-1-Heptanol 2-pentyl-3-phenylprop-2-en-1-ol 1-Heptanol, 2-(phenylmethylene)- (2E)-2-Pentyl-3-phenyl-2-propen-1-ol |
| CAS | 101-85-9 |
| EINECS | 202-982-8 |
| InChI | InChI=1/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11+ |
2-benzylidene-1-heptano - Physico-chemical Properties
| Molecular Formula | C14H20O |
| Molar Mass | 204.31 |
| Density | 0.952g/mLat 25°C(lit.) |
| Boling Point | 141-143°C5mm Hg(lit.) |
| Flash Point | >230°F |
| JECFA Number | 674 |
| Vapor Presure | 6.27E-05mmHg at 25°C |
| Appearance | neat |
| BRN | 3127316 |
| pKa | 14.69±0.10(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | n20/D 1.519(lit.) |
| Physical and Chemical Properties | Colorless to yellowish liquid. Peach, pear and banana-like aroma, with jasmine flavor. Soluble in ethanol and oil, insoluble in water. The boiling point is 141-143 °c/533Pa(5mmHg), and the flash point is above 100 °c. |
2-benzylidene-1-heptano - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36 - Irritating to the eyes |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 2 |
| RTECS | MJ3280000 |
| FLUKA BRAND F CODES | 10-23 |
| HS Code | 2918195000 |
| Toxicity | LD50 orl-rat: 4000 mg/kg FCTXAV 12,807,74 |
2-benzylidene-1-heptano - Nature
Open Data Verified Data
yellow liquid. The aroma is sweet and soft, but with a slight fatty wax flower fragrance. Prolonged exposure to the air produces an unpleasant odor of fatty aldehydes and darkens the color.
Last Update：2024-01-02 23:10:35
2-benzylidene-1-heptano - Preparation Method
Open Data Verified Data
a reduction method using α-amyl cinnamaldehyde using aluminum isopropoxide.
Last Update：2022-01-01 10:08:17
2-benzylidene-1-heptano - Use
Open Data Verified Data
is widely used in all kinds of essence. It is used as soap essence, detergent essence, perfume essence, cream essence, etc.
Last Update：2022-01-01 10:08:17
2-benzylidene-1-heptano - Safety
Open Data Verified Data
The acute oral LD50 value of rats was 3.08-5. 20 g/kg. Rabbit percutaneous LD50 >5g/kg. In the closed condition, no irritation was observed after smearing the sample on the rabbit skin for 1 day. With 8% Vaseline in human closed skin contact test, two days later found no irritation phenomenon.
Last Update：2022-01-01 10:08:18
2-benzylidene-1-heptano - Reference Information
| FEMA | 2065 | ALPHA-AMYLCINNAMYL ALCOHOL |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | determined by total alcohol determination method (0T-5). Accurately weigh about 1.6g of acetyl alcohol, and the equivalent factor (e) in the calculation is 102.2. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): soft drink 0.47; Cold drink 1.5; Candy 1.6; Baked food 1.5; Gum candy 2.0. Moderates are limited (FDA § 172.515,2000). |
| use | spices. Mainly used to prepare various fruit flavors. Trace amount is used for chocolate essence. It is a spice for preparing tree orchid oil. It can be used together with methyl pentyl cinnamaldehyde to improve the stiff flavor of aldehyde aroma and add natural effect. With phenylethanol, can be compared to jasmine and used in jasmine, violet flavor. Trace amounts are used for chocolate flavor. |
| production method | is obtained by aldol condensation of benzaldehyde and heptanal and reduction with KBH4. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 4000 mg/kg |
| flammability hazard characteristics | combustible; combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, carbon dioxide |
Last Update：2024-04-09 15:16:44
