1,7-ジオキサシクロヘプタデカン-8-オン

11-Oxahexadecanolide

HCID 18826CAS 3391-83-1
部分構造検索類似構造を探す

基本情報

標準SMILES
O=C1CCCCCCCCCOCCCCCO1
InChIKey
MKEIDVFLAWJKMY-UHFFFAOYSA-N
分子式
C15H28O3
平均分子量
256.38 g/mol
単同位体質量
256.20384476

概要

11-Oxahexadecanolide is a macrolide.

名称と識別子

優先名称
11-Oxahexadecanolide
IUPAC
1,7-dioxacycloheptadecan-8-one
現地名
1,7-ジオキサシクロヘプタデカン-8-オン
英語名
11-Oxahexadecan-16-olide
分子式
C15H28O3
分子量
256.38

名称と別名

11-OxahexadecanolideRefChem:736941,7-Dioxacycloheptadecan-8-one3391-83-1Musk R 1Musk R-111-Oxahexadecan-16-olideEINECS 222-225-51,7-DIOXACYCLOHEPTADECAN-17-ONE16-Hydroxy-11-oxahexadecanoic acid, omega-lactoneDecanoic acid, 10-((5-hydroxypentyl)oxy)-, o-lactone11-Oxa-16-hexadecanolid
名称をさらに表示
16-ヒドロキシ-11-オキサヘキサデカン酸ラクトン11-オキサヘキサデカノリド1,7-ジオキサシクロヘプタデカン-8-オンマスクR-111-オキサ-ヘキサデカノリドmusk lactone11-Oxahexadecan-16-olid11-0xahexadecan-16-olide1,7-Dioxacyploheptadecan-8-one11,17-dioxacycloheptadecan-1-one
Musk R 1 98%Oprea1_015798Oprea1_226323SCHEMBL111476DTXSID205202311-Oxa-16-hexadecanolide 98%CHEBI:230424MKEIDVFLAWJKMY-UHFFFAOYSA-N

データベース識別子

CAS
3391-83-1
PubChem CID
18826
DTXSID
DTXSID2052023
ChEBI
CHEBI:230424
EC Number
222-225-5
Nikkaji
J52.363A

物性

構造計算による物性

XLogP
4
極性表面積
35.5 Ų
水素結合供与体数
0
水素結合受容体数
3
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

FragrancesFragrance Ingredient (11-Oxahexadecanolide) -> IFRA transparency List

物理化学的性質

融点
35 °C · 35 °C
沸点
339.62 °C · 339.62°C (rough estimate)
比重(密度)
1.0509 · 1.0509 (rough estimate)
屈折率
1.45 · 1.4500 (estimate)
溶解性
Almost insoluble in water, soluble in alcohol and oils.
外見
Opaque crystalline mass.

安全と法規制

GHS分類

GHS Classification · 3 件

This chemical does not meet GHS hazard criteria for 99% (1541 of 1557) of all reports.

Not Classified

Aggregated GHS information provided per 1557 reports by companies from 2 notifications to the ECHA C&L Inventory.

危険有害性情報

Regulatory Information · 3 件

Chemical: 1,7-Dioxacycloheptadecan-8-one

REACH registered substance: 11-oxahexadecan-16-olide (EC: 222-225-5)

1,7-Dioxacycloheptadecan-8-one: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - 1,7-Dioxacycloheptadecan-8-one: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

安全データ

tsca
TSCA listed
毒性
LD50 orl-rat: >5 g/kg FCTOD7 20,787,82

化学と産業

用途と製造

Use ClassificationFragrance Ingredients
General Manufacturing Information1,7-Dioxacycloheptadecan-8-one: ACTIVE
応用分野 · 1 件

使用11-Oxahexadecan-16-olide is an outstanding fixative and an exquisite musk odour with a pleasant note resembling Ambrette-seed oil. This musk is used in perfume compositions at concentrations of 0.5 % or higher, although lower concentrations are known to have had a perceptible effect. The use of this material in minute traces in beverages, chewing gum and other flavoured products is known, but the correct dosage in flavours is much more critical than in perfumes. The suggested use level is normally well below 0.1 ppm in the finished product and lowest in beverages.

上流・下流製品情報

サプライヤー46 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei Zhuanglai Chemical Trading Co Ltd+86-16264648883 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉绿景丰华生物科技有限公司19972070065 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]

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