| Name: | 2-[（1s）-2 2-[(1S)-2,2,3-三甲基环戊-3-烯-1-基]乙酸乙酯 3-trimethylcyclopent-3-en-1-yl]ethyl acetate |
| CAS号 CAS Number: | 36789-59-0 |  3D/INCHI
|
| ECHA EINECS - REACH 预注册 Pre-Reg: | 253-212-2 |
| FDA UNII: | 450PNS9Q6I |
| nikkaji网站 Nikkaji Web: | J332.359E |
| XlogP3-AA: | 2.70（est） 2.70 (est) |
| 分子量 Molecular Weight: | 196.28980000 |
| 式 Formula: | c12 h20 o2 C12 H20 O2 |
| 核磁共振预测器 NMR Predictor: | 预测（适用于Chrome或Firefox） Predict (works with chrome or firefox) |
| efsa / jecfa评论 EFSA/JECFA Comments: |
| jecfa评估了乙酸樟脑酯（登记册中的残留物）。配位基是指（s）-对映异构体。 JECFA evaluated campholene acetate (CASrn as in Register). CASrn in Register refers to the (S)-enantiomer.
商业产品-对映体（effa Commercial product (S)-enantiomer (EFFA, 2010a）。同义词（-）-樟脑烯基乙酸酯（effa 2010a). Synonym (-)-campholenyl acetate (EFFA, 2010a）。要更改为（-）-樟脑烯基乙酸酯或（s）-樟脑烯基乙酸酯的注册名称。 （效果 2010a). Register name to be changed to (-)-campholenyl acetate or (S)-campholenyl acetate. (EFFA, 2010a） 2010a) |
类别 Category:flavor and fragrance agents
美国 US/欧盟 EU/ fda / jecfa / fema / Flavis / 文献 Scholar /专利 Patent :
物理性质 Physical Properties:
| 出现 Appearance: | 无色至浅黄澄清液体（est） colorless to pale yellow clear liquid (est) |
| 化验 Assay: | 98.00至100.00 98.00 to 100.00
|
| 食品化学品法典列表 Food Chemicals Codex Listed: | No |
| 比重 Specific Gravity: | 0.80200 to 0.82200 @ 20.00 °C.
|
| 磅每加仑-（est）。 Pounds per Gallon - (est).: | 6.681 to 6.848
|
| 比重 Specific Gravity: | 0.94300 to 0.94900 @ 25.00 °C.
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| 磅每加仑-est。 Pounds per Gallon - est.: | 7.847 to 7.897
|
| 折光率 Refractive Index: | 1.36000 to 1.37000 @ 20.00 °C.
|
| 折光率 Refractive Index: | 1.45300 to 1.46000 @ 20.00 °C.
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| 沸点 Boiling Point: | 226.00 to 227.00 °C. @ 760.00 mm 汞 Hg
|
| 蒸汽压力 Vapor Pressure: | 0.059000 毫米汞柱 mm汞 Hg @ 25.00 °C. (est) |
| 闪点 Flash Point: | 62.00 °F. tcc TCC ( 16.67 °C. )
|
| logp（o / w） logP (o/w): | 3.944（est） 3.944 (est) |
| 保质期 Shelf Life: | 如果正确存放，则为12.00个月或更长时间。 12.00 month(s) or longer if stored properly. |
| 存储 Storage: | 在密封容器中冷藏。 refrigerate in tightly sealed containers. |
| 溶于 Soluble in: |
| | alcohol | | | 水 water, 9.035 mg / l @ 25°c（est） 9.035 mg/L @ 25 °C (est) |
| 不溶于 Insoluble in: |
| | 水 water |
感官特性 Organoleptic Properties:
| 气味类型 Odor Type: herbal |
| 气味强度 Odor Strength:介质 medium |
| lavender floral berry woody |
| 气味描述 Odor Description:at 100.00 %. 甜 sweet 新鲜 fresh lavender, floral, 带有木质味的浆果味 berry note with fine woody undertone |
| 风味类型 Flavor Type: jammy |
| jammy raspberry fruity |
| 口味描述 Taste Description: 果酱覆盆子 jammy raspberry |
| 来自其他 的气味和/或风味描述（如果找到）。 Odor and/or flavor descriptions from others (if found). |
化妆品信息 Cosmetic Information:
供应商 Suppliers:
安全信息 Safety Information:
| |
| 危害识别 Hazards identification |
| |
| 物质或混合物的分类 Classification of the substance or mixture |
| 根据29 cfr 1910（osha hcs）进行ghs分类 GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
| 没有找到。 None found. |
| ghs标签元素 GHS Label elements, 包括预防性声明 including precautionary statements |
| |
| 象形图 Pictogram | |
| |
| 危险说明 Hazard statement(s) |
| 没有找到。 None found. |
| 防范说明 Precautionary statement(s) |
| 没有找到。 None found. |
| 口服/肠胃外毒性 Oral/Parenteral Toxicity: |
灌胃鼠 gavage-rat LD50 [性别 sex: M,F] 4640 - 5270 mg/kg kg
The 研究 study is 考虑过 considered 有效 valid.
(皮西里罗 Piccirillo et al., 1979)
灌胃鼠 gavage-rat LD50 [性别 sex: F] 3000 mg/kg kg
(皮西里罗 Piccirillo et al., 1979)
|
| 皮肤毒性 Dermal Toxicity: |
|
未定 Not determined
|
| 吸入毒性 Inhalation Toxicity: |
|
未定 Not determined
|
使用安全信息 Safety in Use Information:
| 类别 Category: | | flavor and fragrance agents |
| IFRA IFRA 码 Code of 实践 Practice 通知 not Notification of the 49th 修正案 Amendment to the IFRA IFRA 码 Code of 实践 Practice |
| 推荐使用（s）-樟脑乙酸酯的使用水平 Recommendation for (S)-campholene acetate usage levels up to: | | | 0.50香料浓缩物中的00％。 0.5000 % in the fragrance concentrate.
|
| |
| 最大化源自调查的每日摄入量（msdi-eu） Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061（微克/ 均/天） 0.061 (μg/capita/day) |
| 最大化源自调查的每日摄入量（msdi-usa） Maximised Survey-derived Daily Intakes (MSDI-USA): | nd（微克/ 均/天） ND (μg/capita/day) |
| 结构类 Structure Class: | I |
| 采用 Use 等级 levels for FEMA GRAS flavoring 物质 substances on 哪一个 which the FEMA 专家 Expert 面板 Panel 基于 based its its 判断 judgments that the 物质 substances are 通常 generally 公认的 recognized as safe (GRAS). |
| The 专家 Expert 面板 Panel 也 also 发表 publishes 分离 separate 广泛 extensive 评论 reviews of scientific information on all FEMA GRAS flavoring 物质 substances and can be 发现 found at FEMA 味道 Flavor Ingredient 图书馆 Library |
| 出版编号 publication number: 13 |
| 点击这里查看出版物13 Click here to view publication 13 |
| | 平均 average 通常 usual 百万分之几 ppm | 平均 average 最大 maximum 百万分之几 ppm |
| 焙烤食品 baked goods: | - | - |
| 饮料（不含醇） beverages(nonalcoholic): | - | 3.00000 |
| 醇饮料 beverages(alcoholic): | - | 3.00000 |
| 早餐麦片 breakfast cereal: | - | - |
| 起司 cheese: | - | - |
| 口香糖 chewing gum: | - | 3.00000 |
| 调味品/调味品 condiments / relishes: | - | - |
| 糖果烧烤 confectionery froastings: | - | - |
| 蛋制品 egg products: | - | - |
| 脂肪/油 fats / oils: | - | - |
| 鱼产品 fish products: | - | - |
| 冷冻乳制品 frozen dairy: | - | - |
| 水果冰 fruit ices: | - | - |
| 明胶/布丁 gelatins / puddings: | - | 3.00000 |
| 砂糖 granulated sugar: | - | - |
| 肉汁 gravies: | - | - |
| 硬糖 hard candy: | - | 3.00000 |
| 仿乳制品 imitation dairy: | - | - |
| 速溶咖啡/茶 instant coffee / tea: | - | - |
| 果酱/果冻 jams / jellies: | - | - |
| 肉制品 meat products: | - | - |
| 奶制品 milk products: | - | - |
| 坚果产品 nut products: | - | - |
| 其他谷物 other grains: | - | - |
| 家禽 poultry: | - | - |
| 加工水果 processed fruits: | - | - |
| 加工蔬菜 processed vegetables: | - | - |
| 重构蔬菜 reconstituted vegetables: | - | - |
| 调味料 seasonings / flavors: | - | - |
| 休闲食品 snack foods: | - | - |
| 软糖 soft candy: | - | 3.00000 |
| 汤类 soups: | - | - |
| 糖替代品 sugar substitutes: | - | - |
| 甜酱 sweet sauces: | - | - |
| |
| 根据委员会法规ec EC号的食品类别。 1565/2000（ec , 2000）在fge.06（efsa 2000) in FGE.06 (EFSA, 2002a). 根据 According to the Industry the "正常 normal" use is 定义的 de精细 fined as the 平均 average of 已报告 reported 用法 用法 usages and "最大 maximum use" is 定义的 de精细 fined as the 95th 百分位 percentile of 已报告 reported 用法 用法 usages (efsa EFSA, 2002i）。 2002i). |
| 注意 Note: 毫克/千克= 0.001 / 1000 = 0.000001 = 1/1000000 = 百万分之几 ppm |
| | 平均 average 用法 usage mg/kg kg | 最大 maximum 用法 usage mg/kg kg |
| 乳制品 Dairy products, 不包括02.0（01.0）类产品 excluding products of category 02.0 (01.0): | - | - |
| 脂肪和油脂 Fats and oils, 和脂肪乳液（油包水型）（02.0） and fat emulsions (type water-in-oil) (02.0): | - | - |
| 食用冰 Edible ices, 包括果子露和果汁冰糕（03.0） including sherbet and sorbet (03.0): | - | - |
| 加工水果（04.1） Processed fruit (04.1): | - | - |
| 加工蔬菜（包括蘑菇和真菌） Processed vegetables (incl. mushrooms & fungi, 根与根块茎 roots & tubers, 豆类和豆类） pulses and legumes), 和坚果种子（04.2） and nuts & seeds (04.2): | - | - |
| 糖果（05.0） Confectionery (05.0): | - | - |
| 谷物和谷物产品 Cereals and cereal products, 含税面粉根和淀粉块茎 incl. flours & starches from roots & tubers, 脉冲和豆类 pulses & legumes, 不包括面包店（06.0） excluding bakery (06.0): | - | - |
| 烘焙用具（07.0） Bakery wares (07.0): | - | - |
| 肉和肉制品 Meat and meat products, 包括家禽和野味（08.0） including poultry and game (08.0): | - | - |
| 鱼和鱼制品 Fish and fish products, 包括软体动物 including molluscs, 甲壳类和棘皮类动物（麦克 MCE）（09.0） : | - | - |
| 鸡蛋和蛋制品（10.0） Eggs and egg products (10.0): | - | - |
| 甜味剂 Sweeteners, 包括蜂蜜（11.0） including honey (11.0): | - | - |
| 盐 Salts, 香料 spices, 汤类 soups, 酱料 sauces, 色拉 salads, 蛋白产品 protein products, 等（12.0） etc. (12.0): | - | - |
| 用于特定营养用途的食品（13.0） Foodstuffs intended for particular nutritional uses (13.0): | - | - |
| 不含醇 Non-酒鬼 alcoholic ("柔软的 soft") 饮料 beverages, 不包括乳制品（14.1） excl. dairy products (14.1): | - | - |
| 含醇的饮料 Alcoholic beverages, 含税无醇和低醇的对口（14.2） incl. alcohol-free and low-alcoholic counterparts (14.2): | - | - |
| 即食美味（15.0） Ready-to-eat savouries (15.0): | - | - |
| 复合食品（例如砂锅菜） Composite foods (e.g. casseroles, 肉馅饼 meat pies, 百果馅）-无法放在01.0-15.0（16.0）类别中的食物 mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | - | - |
安全参考 Safety references:
欧洲食品安全法规（efsa） European Food Safety Athority(efsa):风味使用水平；亚急性 Flavor usage levels; Subacute, 亚慢性 Subchronic, 慢性和致癌性研究；发育/ 毒性研究；遗传毒性研究... Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
|
欧洲食品安全局（efsa EFSA）参考 :
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食品添加剂科学小组的意见 Opinion of the Scientific Panel on food additives, 调味料 seasonings / flavors, 与调味品组评估12（fge.12）有关的与食品接触的加工助剂和材料（afc）;伯饱和或不饱和脂环族伯醇 processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 12 (FGE.12); Primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters from chemical group 7 (佣金 Commission 规 Regulation (ec EC) No 1565/2000 of 18 July 2000)
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伯饱和或不饱和脂环族伯醇 Primary saturated or unsaturated alicyclic alcohol, aldehyde, 和酯来自化学组7-调味组评估12 and esters from chemical group 7 - Flavouring Group Evaluation 12, 修订1-食品添加剂小组的科学意见 Revision 1 - Scientific Opinion of the Panel on Food Additives, 调味料 seasonings / flavors, 处理中 Processing 艾滋病 Aids and 材料 Materials in contact with Food (afc AFC)
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调味组评估73 Flavouring Group Evaluation 73, （fge.73）[1]-考虑脂环族伯醇 (FGE.73)[1] - Consideration of alicyclic primary alcohols, 醛类 aldehydes, jecfa（第五十九次会议）评估的与伯饱和或不饱和脂环族伯醇结构相关的酸和相关酯 acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, efsa EFSA在fge.12（2005）中评估的醛和酯-食品添加剂科学小组的意见 , 调味料 seasonings / flavors, 处理中 Processing 艾滋病 Aids and 材料 Materials in 联系 Contact with Food
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调味组评估的科学见解73 Scientific Opinion on Flavouring Group Evaluation 73, 修订版1（fge.73rev1） Revision 1 (FGE.73Rev1): 考虑脂环族伯醇 Consideration of alicyclic primary alcohols, 醛类 aldehydes, jecfa（第五十九次会议）评估的与伯饱和或不饱和脂环族伯醇结构相关的酸和相关酯 acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters 已评估 evaluated by by efsa EFSA in ge FGE.12Rev2 (2011)
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调味组评估的科学见解73 Scientific Opinion on Flavouring Group Evaluation 73, 修订版2（fge.73rev2） Revision 2 (FGE.73Rev2): 考虑脂环族伯醇 Consideration of alicyclic primary alcohols, 醛类 aldehydes, 由jecfa（第五十九次会议）评估的与伯饱和或不饱和脂环族伯醇结构相关的酸和相关酯 acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, 醛类 aldehydes, acids acids and esters 已评估 evaluated by by efsa EFSA in ge FGE.12Rev3 (2012)
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调味组评估的科学见解73 Scientific Opinion on Flavouring Group Evaluation 73, 版本3（fge.73rev3） Revision 3 (FGE.73Rev3): 考虑脂环族醇 Consideration of alicyclic alcohols, 醛类 aldehydes, jecfa（第五十九次和第六十三次会议）评估的酸和相关的酯在结构上与伯饱和或不饱和脂环族醇有关 acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, 醛类 aldehydes, acids acids and esters 已评估 evaluated by by efsa EFSA in ge FGE.12Rev4 (2013)
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调味组评估的科学见解73 Scientific Opinion on Flavouring Group Evaluation 73,
修订版4（fge.73rev4） Revision 4 (FGE.73Rev4): 考虑脂环族醇 Consideration of alicyclic alcohols,
醛类 aldehydes, jecfa评估的酸和相关酯 acids and related esters evaluated by JECFA
（第59次和第63次会议）在结构上与小学 (59th and 63rd meeting) structurally related to primary
饱和或不饱和脂环族醇 saturated or unsaturated alicyclic alcohols, 醛类 aldehydes,
acids acids and esters 已评估 evaluated by by efsa EFSA in ge FGE.12Rev5
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| Epi系统 EPI System: 视图 View |
| EPA ACToR:毒理学资料 Toxicology Data |
| EPA物质注册服务（SRS） :注册表 Registry |
| 实验室化学安全摘要 Laboratory Chemical Safety Summary :21149427 |
| 国家过敏和传染病研究所 National Institute of Allergy and Infectious Diseases:Data |
| 2-[（1s）-2 2-[(1S)-2,2,3-三甲基环戊-3-烯-1-基]乙酸乙酯 3-trimethylcyclopent-3-en-1-yl]ethyl acetate |
| chemidplus Chemidplus:0036789590 |
参考资料 References:
| | 2-[（1s）-2 2-[(1S)-2,2,3-三甲基环戊-3-烯-1-基]乙酸乙酯 3-trimethylcyclopent-3-en-1-yl]ethyl acetate |
| NIST化学网络书籍 NIST Chemistry WebBook: | 搜索INCHI |
| 加拿大国内分公司。清单 Canada Domestic Sub. List: | 36789-59-0 |
| pubchem（cid） Pubchem (cid): | 21149427 |
| pubchem（sid） Pubchem (sid): | 135213768 |
其他资料 Other Information:
潜在搅拌机 Potential Blenders and core 组件 components note
潜在用途 Potential Uses:
存在（自然 Occurrence (nature, food, 其他） other): note
同义词 Synonyms:
| 3- | cyclopentene-1-ethanol, 2,2,3-trimethyl-, acetate, (S)- | | (S)- | trimenal acetate (IFF) | | （s）-2 (S)-2,2,3- | trimethyl cyclopent-3-ene-1-乙基 -ethyl acetate | | 2-[（1s）-2 2-[(1S)-2,2,3- | trimethylcyclopent-3-en-1-yl]ethyl acetate | | （s）-2 (S)-2,2,3- | trimethylcyclopent-3-ene-1-乙基 -ethyl acetate |
文章 Articles:
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