Linalyl butyrate
FEMA 2639 · NSC 46144 · Linalylbutyrat · LILYL BUTYRATE · LINALYL BUTYRATE · Linalyl butanoate · LINALYLn-BUTYRATE · Linalool butyrate
식별자 및 물리적 특성
| CAS No. | 78-36-4 |
|---|---|
| 분자식 | C14H24O2 |
| 평균 분자량 | 224.34 g/mol |
| 단동위원소 질량 | 224.17763 g/mol |
| SMILES | C=CC(C)(CCC=C(C)C)OC(=O)CCC |
| InChIKey | FHLGUOHLUFIAAA-UHFFFAOYSA-N |
| PubChem CID | 62321 |
| ChEBI | CHEBI:171782 |
| EC No. | 201-109-8 |
| DTXSID | DTXSID20861635 |
화학 및 물리적 성질
| XLogP | 4.1 |
|---|---|
| 극성 표면적 | 26.3 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 8 |
| 무거운 원자 수 | 16 |
| 형식 전하 | 0 |
| 복잡도 | 262 |
| 향료 | Fragrance Ingredient (Linalyl butyrate) -> IFRA transparency List |
| 식품 첨가물 | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| 밀도 | 0.855-0.9050.892 g/mL at 25 °C(lit.) |
| 향미제 | EU Flavoring substances |
| 용해도 | soluble in alcohols and oils, slightly soluble in water1 ml in 3 ml 80% alcohol (in ethanol)Almost insoluble in water, soluble in alcohol and oils |
| 끓는 점 | 220.00 to 222.00 °C. @ 760.00 mm Hg232 °C80-82 °C0.2 mm Hg(lit.) |
| 굴절률 | 1.451-1.456n20/D 1.45(lit.) |
| Physical Description | Liquidcolourless or yellowish liquid with a heavy-fruity, sweet, pear-like odour |
| FEMA | 2639 | LINALYL BUTYRATE |
| 인화점 | 218 °F |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| 비중 | 0.90 |
| 냄새 | 100.00%에서. 베르가못 과일 바나나 베리 |
| 향취 유형 | 꽃향기 |
| 생물학적 소스 | synthetic |
| JECFA Number | 361 |
| 주요 응용 | 향료 및 향 |
| 화장품 원료 기능 | 향수 |
| InChI | 1S/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3 |
| InChIKey | FHLGUOHLUFIAAA-UHFFFAOYSA-N |
| SMILES | CCCC(=O)OC(C)(CC\C=C(\C)C)C=C |
| LogP(분배 계수) | 4.90 |
| EPA | Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester (78-36-4) |
화학적 성질
Linalyl Butyrate is a liquid with a fruity bergamot note and a subdued animalic tone. It is used in lavender perfumes and in many blossom compositions.
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 86.9% (273 of 314) of all reports.H411 (12.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 314 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl esterRegulation (EC) No 1831/2003 (amended)Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - Simple esters of linalool: Human health tier II assessment |
| Hazard Classes and Categories | Aquatic Chronic 2 (12.7%) |
| 수질 위해 등급(WGK) | 2 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2915.60.5000 |
| 기존화학 물질 | KE-03848 |
| 위험 등급 | Aquatic Chronic 2 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
Linalyl butyrate has a fruity note with a bergamot-like undertone. The flavor reminiscent of certain types of honey on dilution. It is moderately stable.
출처
Reported found in the oil of Artemisia porrecta var. coerulea, lavender oil and kumquat peel oil.
용도
Linalyl butyrate finds use in perfume compositions mainly for Lavender notes in Colognes (Citrus-colognes), Fougères, and in many types of Lilac, Muguet, Cassie, Peony and other floral bases. It is furthermore used in flavor compositions for imitation Banana, Butter, Grape, Honey, Loganberry, Melon, Peach, Pear, Pineapple, Plum, and in Caramel flavors, Citrus blends, fruit complexes, Spice blends, Nut flavors, Rose or other floral types, etc. The concentration is normally low, about 0.1 up to 15 ppm in the finished product.
제조 및 합성 방법
제조 방법
Analogous to that of geranyl butyrate.