기본 정보
- CAS
78-36-4- 표준 SMILES
C=CC(C)(CCC=C(C)C)OC(=O)CCC- InChIKey
FHLGUOHLUFIAAA-UHFFFAOYSA-N- 분자식
- C14H24O2
- 평균 분자량
- 224.34 g/mol
- 단동위원소 질량
- 224.17763
개요
Linalyl butyrate is a monoterpenoid.
이름 및 식별자
- 우선 이름
- Linalyl butyrate
- IUPAC
- 3,7-dimethylocta-1,6-dien-3-yl butanoate
- 영어명
- LINALYL BUTYRATE
- 분자식
- C14H24O2
- 분자량
- 224.34
이름 및 동의어
Linalyl butyrate78-36-4Linalyl butanoate3,7-dimethylocta-1,6-dien-3-yl butanoateFEMA No. 2639BUTANOIC ACID, 1-ETHENYL-1,5-DIMETHYL-4-HEXENYL ESTER3,7-Dimethyl-1,6-octadien-3-yl butyrateButyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester1,6-Octadien-3-ol, 3,7-dimethyl-, butyrate7K9F6ZOH3SButanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl esterDTXSID20861635
이름 더 보기
FEMA 2639NSC 46144LinalylbutyratLILYL BUTYRATELINALYLn-BUTYRATELinalool butyrateLinallyl butyrateLinalyl Butyrate >
NSC-46144RefChem:153479DTXCID70810532201-109-83,7-Dimethylocta-1,6-dien-3-yl butyrateButyric acid, linalyl ester1,5-Dimethyl-1-vinyl-4-hexenyl butyrateUNII-7K9F6ZOH3S
데이터베이스 식별자
- CAS
78-36-4- PubChem CID
- 62321
- DTXSID
DTXSID20861635- ChEBI
CHEBI:171782- UNII
- 7K9F6ZOH3S
- EC Number
- 201-109-8
- Nikkaji
- J183.076G
물성
구조 계산 물성
- XLogP
- 4.1
- 극성 표면적
- 26.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 262
실험 및 물리화학적 성질
FragrancesFragrance Ingredient (Linalyl butyrate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.855-0.905
Flavoring AgentsEU Flavoring substances
Solubility
soluble in alcohols and oils, slightly soluble in water
1 ml in 3 ml 80% alcohol (in ethanol)
Boiling Point
220.00 to 222.00 °C. @ 760.00 mm Hg
232 °C
Refractive Index1.451-1.456
Physical Description
Liquid
colourless or yellowish liquid with a heavy-fruity, sweet, pear-like odour
물리화학적 성질
- 끓는 점
- 80 · 80-82 °C0.2 mm Hg(lit.)
- 밀도
- 0.892 g/mL · 0.892 g/mL at 25 °C(lit.)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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.
유해성 정보
Regulatory Information
Chemical: Butanoic acid, 1-ethenyl-1,5-dimethyl-4-hexenyl ester
Regulation (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
Other Safety InformationIMAP assessments - Simple esters of linalool: Human health tier II assessment
Hazard Classes and CategoriesAquatic Chronic 2 (12.7%)
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- HS 번호
- 2915.60.5000
- 기존화학 물질
- KE-03848
- Hazard Classifications
- Aquatic Chronic 2
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
약리 정보
Cellular LocationsExtracellular
용도 및 제조
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationButanoic acid, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester: ACTIVE
응용 분야
개요Linalyl butyrate has a fruity note with a bergamot-like undertone. The flavor reminiscent of certain types of honey on dilution. It is moderately stable.
출처Reported found in the oil of Artemisia porrecta var. coerulea, lavender oil and kumquat peel oil.
용도Linalyl 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 방법
Analogous to that of geranyl butyrate.
상·하류 제품 정보
상류 원료
관련 반응
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