(9Z)-9-シクロヘプタデセン-1-オン

Civetone

HCID 5315941
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基本情報

CAS
542-46-1
標準SMILES
O=C1CCCCCCC/C=C\CCCCCCC1
InChIKey
ZKVZSBSZTMPBQR-UPHRSURJSA-N
分子式
C17H30O
平均分子量
250.4 g/mol
単同位体質量
250.22966558

概要

Civetone is a macrocycle that is cycloheptadecanone with an unsaturation at position 9 (the 9Z-stereoisomer). It has been found in African Civets. It has a role as a pheromone, a fragrance and an animal metabolite. It is a cyclic ketone and a macrocycle.

名称と識別子

優先名称
Civetone
IUPAC
(9Z)-cycloheptadec-9-en-1-one
現地名
(9Z)-9-シクロヘプタデセン-1-オン
英語名
CIVETONE
分子式
C17H30O
分子量
250.42

名称と別名

Civetonecis-Civetone542-46-19-Cycloheptadecen-1-one, (9Z)-FEMA No. 3425cycloheptadeca-9-en-1-oneP0K30CV1UECIVETTONECHEBI:78317DTXSID80883434RefChem:126616DTXCID60212728
名称をさらに表示
(9Z)-9-シクロヘプタデセン-1-オンチベトンcis-チベトンシベトンcis-シベトン(Z)-9-シクロヘプタデセン-1-オン(Z)-シベトン(9Z)-シクロヘプタデカ-9-エン-1-オンFEMA 3425ZibetoncivettonAi3-38745Brn 1954923(Z)-CivetoneCIVETONE USP/EP/BP
208-813-4(9Z)-cycloheptadec-9-en-1-one(Z)-Cycloheptadec-9-enone9-Cycloheptadecen-1-one, (Z)-NSC 90305cycloheptadec-9-en-1-oneCivettone, alpha-trans-9-Cycloheptadecen-1-one, cis-

データベース識別子

CAS
542-46-1、74244-64-7
PubChem CID
5315941
DTXSID
DTXSID80883434
ChEBI
CHEBI:78317
UNII
P0K30CV1UE
EC Number
208-813-4
Nikkaji
J57.867C

物性

構造計算による物性

XLogP
6.1
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
18

実験および物理化学的性質

LipidsFatty Acyls [FA] -> Oxygenated hydrocarbons [FA12]
SpringerMaterials PropertiesOptical coefficient
FragrancesFragrance Ingredient (9-Cycloheptadecen-1-one) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Solubility · 2 件

Soluble in oils; Slightly soluble in water

Soluble (in ethanol)

Physical DescriptionWhite or colourless crystalline mass; Musky aroma

物理化学的性質

融点
31 · 31-32°
沸点
742 · bp742 342°; bp2 59°
比重(密度)
433 · d433 0.917
FEMA
3425 · 3425 | CYCLOHEPTADECA-9-EN-1-ONE
屈折率
33.4 · nD33.4 1.4830
臭い (Odor)
1 %。クリーン · ジプロピレングリコール中1.00%。クリーン ムスク ドライ アニマル スウィート
化学的性質 · 1 件

化学的特性CIVETONE is a colorless liquid with warm, sensual, animalic musky odor and extreme tenacity. It is themain odoriferous constituent of civet.Civetonewas formerly prepared bymultistep syntheses, for example. Recently, newer processes using dimethyl (Z)-9-octadecendioate as starting material have been described. This is cyclized by a Dieckmann condensation either in liquid or in gaseous phase. (Z)-9-Octadecendioic acid is available by microbial oxidation of oleic acid with Candida tropicalis. It is used in fine fragrance compositions for, for example, toiletries and body care products.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for 79.1% (148 of 187) of all reports.

Warning

H315 (20.9%): Causes skin irritation [Warning Skin corrosion/irritation]

P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)

Aggregated GHS information provided per 187 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 9-Cycloheptadecen-1-one, (Z)-

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

9-Cycloheptadecen-1-one, (9Z)-: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - Exaltone and related macrocyclic musks
Hazard Classes and CategoriesSkin Irrit. 2 (20.9%)

安全データ

tsca
TSCA listed
毒性
The acute oral LD50 value in rats was reported as > 5 g/kg and the acute dermal LD50 value in rabbits exceeded 2 g/kg (Moreno. 1974).
risk_code
38
hazard_code
Xi
safety_code
36/37

化学と産業

用途と製造

Use Classification · 4 件

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing Information9-Cycloheptadecen-1-one, (9Z)-: ACTIVE
応用分野 · 3 件

解説9-cycloheptadecen-1-one．C17H30O(250.43)．アフリカ産のシベット猫の分泌物からつくられる麝(じゃ)香の香気成分．融点31 ℃，沸点159 ℃(266 Pa)．d374 0.9135．n37D 1.482．水に不溶，有機溶媒に可溶．化粧品調合香料，保留剤に用いられる．[CAS 542-46-1]"森北出版「化学辞典（第2版）

天然物の起源In civet (cis-form).

使用In perfumery.

調製方法

製造方法From aleuritic acid, the trans- form only; the cis- and trans-forms from ethyl-9-keto heptadecanedioate.

上流・下流製品情報

サプライヤー76 社

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]

補足説明

定義ChEBI: A macrocycle that is cycloheptadecanone with an unsaturation at position 9 (the 9Z-stereoisomer). It has been found in African Civets.

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