HEXYL BENZOATE
Hexyl benzoate
CAS: 6789-88-4
Molecular Formula: C13H18O2
HEXYL BENZOATE - Names and Identifiers
| Name | Hexyl benzoate |
| Synonyms | FEMA 3691 Hexyl benzoate HEXYL BENZOATE 1-hexylbenzoate N-HEXYL BENZOATE BENZOIC ACID HEXYL ESTER hexylesterkyselinybenzoove BENZOIC ACID N-HEXYL ESTER Hexylester kyseliny benzoove n-Hexyl benzoate, (Benzoic acid n-hexyl ester) |
| CAS | 6789-88-4 |
| EINECS | 229-856-5 |
| InChI | InChI=1/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3 |
HEXYL BENZOATE - Physico-chemical Properties
| Molecular Formula | C13H18O2 |
| Molar Mass | 206.28 |
| Density | 0.98g/mLat 25°C(lit.) |
| Boling Point | 272°C(lit.) |
| Flash Point | >230°F |
| JECFA Number | 854 |
| Vapor Presure | 0.0026mmHg at 25°C |
| BRN | 2048117 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | n20/D 1.493(lit.) |
| Physical and Chemical Properties | Hexyl benzoate is naturally found in European bilberry and peach. Hexyl benzoate has woody and balsam aromas, accompanied by fruit fragrance. Appearance is liquid, boiling point 272 ℃,125 ℃/670Pa. According to the information provided by RIFM, acute toxicity data of hexyl benzoate: oral LD5012.3g/kg (rats), skin test LD50>5g/kg (rabbits). Quest Company of England and Holland produces hexyl benzoate. Its product specifications are: content not less than 97% (chromatography),d20200.979~0.982,n20D1.492 ~ 1.494, flash point 103 ℃. |
HEXYL BENZOATE - Risk and Safety
| Risk Codes | R38 - Irritating to the skin R36/38 - Irritating to eyes and skin. |
| Safety Description | S36 - Wear suitable protective clothing. S60 - This material and its container must be disposed of as hazardous waste. S37 - Wear suitable gloves. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S23 - Do not breathe vapour. |
| WGK Germany | 2 |
| RTECS | DH1490000 |
| TSCA | Yes |
| HS Code | 29163100 |
| Toxicity | GRAS(FEMA)。 |
HEXYL BENZOATE - Reference Information
| Physical and chemical properties | Hexyl benzoate is naturally found in European bilberry and peach. Hexyl benzoate has woody and balsam aromas, accompanied by fruit fragrance. Appearance is liquid, boiling point 272 ℃,125 ℃/670Pa. According to the information provided by RIFM, acute toxicity data of hexyl benzoate: oral LD5012.3g/kg (rats), skin test LD50>5g/kg (rabbits). Quest Company of England and Holland produces hexyl benzoate. Its product specifications are: content not less than 97% (chromatography),d20200.979~0.982,n20D1.492 ~ 1.494, flash point 103 ℃. |
| use | hexyl benzoate is an ester organic substance, which can be used in daily chemical essence formula, especially in soap essence. hexyl benzoate can be used in daily chemical essence formula, especially in soap essence. The IFRA has no restrictions. Hexyl benzoate is included in the list of artificial edible flavors that can be used in food without harming human health by the European Council. The dosage is 1 mg/kg. It can be used in the formulation of edible flavors. |
| Preparation method | Hexyl benzoate can be prepared by esterification reaction of benzoic acid and hexanol, or obtained by transesterification reaction of hexanol and methyl benzoate. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked products, soft candy, 10.0; Cold drinks, pudding, gel, alcohol-free drinks, 7.5; Alcoholic beverages, 5.0. |
| maximum allowable usage of food additives maximum allowable residue standard | ▼ ▲ Chinese name of additive allowed to use the additive Chinese name of food additive function maximum allowable usage (g/kg) maximum allowable residue (g/kg) hexyl benzoate food and food spices shall not exceed the maximum allowable usage and maximum allowable residue in GB 2760 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:01
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