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1-(2,6,6-三甲基-2-环己烯-1-基)-1,6-庚二烯-3-酮

用途

【用途一】
GB 2760--1996：规定为允许使用的食品用香料。主要用于配制菠萝等水果型香精。

名称

[ CAS 号 ]:
79-78-7

[ 中文名 ]:
1-(2,6,6-三甲基-2-环己烯-1-基)-1,6-庚二烯-3-酮

[ 英文名 ]:
1,6-Heptadien-3-one,1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

[中文别名 ]:

[英文别名 ]:

HEXALON
EINECS 201-225-9
CETON V
allylalpha-ionon
FEMA 2033
MFCD00052729
CETONE V

物理化学性质

[ 密度 ]:
0.928 g/mL at 25ºC(lit.)

[ 沸点 ]:
313.4ºC at 760 mmHg

[ 分子式 ]:
C₁₆H₂₄O

[ 分子量 ]:
232.36100

[ 闪点 ]:
137.6ºC

[ 精确质量 ]:
232.18300

[ PSA ]:
17.07000

[ LogP ]:
4.46040

[ 外观性状 ]:
无色至黄色液体带有一种水果的,木质的气味

[ 折射率 ]:
n20/D 1.505(lit.)

[ 储存条件 ]:
库房通风低温干燥,轻装轻卸、与氧化剂和酸类分开存放

MSDS

详细MSDS(安全技术说明书)

毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: MI5550000

CHEMICAL NAME :: 1,6-Heptadien-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-

CAS REGISTRY NUMBER :: 79-78-7

BEILSTEIN REFERENCE NO. :: 3133731

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C16-H24-O

MOLECULAR WEIGHT :: 232.40

WISWESSER LINE NOTATION :: L6AUTJ B1 C1U1V3U1 D1 D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,1079,1973 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 11,493,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - T1515 No. of Facilities: 15 (estimated) No. of Industries: 1 No. of Occupations: 16 No. of Employees: 2279 (estimated)

安全信息

[ 个人防护装备 ]:
Eyeshields;Gloves

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
MI5550000

制备

【方法一】
在甲醇钠存在下，由柠檬醛与烯丙基丙酮先行缩合，然后在三氟化硼催化下，环合而成。