基本情報
- CAS
106-02-5- 標準SMILES
O=C1CCCCCCCCCCCCCCO1- InChIKey
FKUPPRZPSYCDRS-UHFFFAOYSA-N- 分子式
- C15H28O2
- 平均分子量
- 240.38 g/mol
- 単同位体質量
- 240.20893014
概要
Cyclopentadecanolide is a macrolide.
名称と識別子
- 優先名称
- Pentadecalactone
- IUPAC
- oxacyclohexadecan-2-one
- 現地名
- 15-ペンタデカノラクトン
- 英語名
- Cyclopentadecanolide
- 分子式
- C15H28O2
- 分子量
- 240.38
名称と別名
Oxacyclohexadecan-2-one106-02-5CyclopentadecanolideExaltolidePentalidePentadecan-15-olideMuskolactoneThibetolidePENTADECALACTONEomega-PentadecalactoneFEMA No. 2840OK17S3S98K
名称をさらに表示
15-ペンタデカノラクトンペンタリッドオキサシクロヘキサデカン-2-オンムスカラクトンチベトリド2-ペンタデカロンペンタデカラクトン1,15-ペンタデカノリドエクサルトリドω-ペンタデカンラクトン1-オキサシクロヘキサデカン-2-オンペンタリド15-ペンタデカノリドシクロペンタデカノリドエキサルトリド15-ヒドロキシペンタデカン酸1,15-ラクトンペンタデカノリドペンタデカノラクトン15-ヒドロキシペンタデカン酸ラクトンエキサルトリド(R)PENTADECANOLIDEExaltolide Totalω-PentadecalactoneMuskalactoneFEMA 2840
DTXSID6044359NSC-36763EXALTEXDTXCID4024359Pentadecanoic acid, 15-hydroxy-, xi-lactoneCPE-21515-Hydroxypentadecanoic acid-epsilon-lactoneRefChem:857011
データベース識別子
- CAS
106-02-5- PubChem CID
- 235414
- DTXSID
DTXSID6044359- ChEMBL
CHEMBL3560504- ChEBI
CHEBI:177420- UNII
- OK17S3S98K
- EC Number
- 203-354-6
- Nikkaji
- J4.546B
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 189
実験および物理化学的性質
CosmeticsMasking
SpringerMaterials PropertiesBoiling point
Fragrances
Fragrance substance (Cyclopentadecanolide) -> IFRA amendment 49
Fragrance Ingredient (omega-Pentadecalactone) -> IFRA transparency List
Fragrance -> musk
LogP6.100
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point137.00 °C. @ 2.00 mm Hg
Melting Point52 - 53 °C
Physical Description
CBI; Liquid
Solid
white to pale yellow solid
物理化学的性質
- 融点
- 34 · 34-38 °C(lit.)
- 沸点
- 137 °C2 · 137 °C2 mm Hg(lit.)
- 比重(密度)
- 0.918 g/mL · 0.918 g/mL at 25 °C(lit.)
- 蒸気圧
- 0.085 Pa · 0.085Pa at 25℃
- 屈折率
- 1.47 · 1.4700
- FEMA
- 2840 · 2840 | OMEGA-PENTADECALACTONE
- 闪点
- 230 °F · >230 °F
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- クロロホルム、酢酸エチル、メタノール（微量）
- 外見
- 個体
- 色
- ホワイトからオフホワイトへ 低融点
- 臭い (Odor)
- 10 %。ムスク · ジプロピレングリコール中10.00%。ムスク アニマル パウダリー ナチュラル フルーティー
- においのタイプ
- ムスク
- 由来生物
- synthetic
- 水溶解度
- アルコール、ジプロピレングリコールに可溶。水に不溶。
- Merck
- 14 · 14,3910
- JECFA Number
- 239 · 239
- BRN
- 143710 · 143710
- Henry's Law Constant
- 4 · 4.0×10-3 mol/(m3Pa) at 25℃, Amoore and Buttery (1978)
- 主な用途
- フレーバーそして香料
- 化粧品成分の機能
- 香料香料
- InChI
- 1S/C15H28O2/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-17-15/h1-14H2
- InChIKey
- FKUPPRZPSYCDRS-UHFFFAOYSA-N
- SMILES
- O=C1CCCCCCCCCCCCCCO1
- LogP
- 5.79 at · 5.79 at 25℃
- CAS データベース
- 106 · 106-02-5(CAS DataBase Reference)
- NISTの化学物質情報
- -2 · Oxacyclohexadecan-2-one(106-02-5)
- EPAの化学物質情報
- -2 · Oxacyclohexadecan-2-one (106-02-5)
化学的性質
化学的特性Cyclopentadecanolide occurs in small quantities in, for example, angelica root oil. It forms colorless crystals (mp 37–38°C) with a delicate, musk-like odor.
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 14.8% (270 of 1826) of reports.
Warning
H317 (13.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1826 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
危険有害性情報
Regulatory Information
Chemical: Oxacyclohexadecan-2-one
Regulation (EC) No 1831/2003 (amended)
Oxacyclohexadecan-2-one is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Oxacyclohexadecan-2-one are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 01-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5937
Oxacyclohexadecan-2-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Oxacyclohexadecan-2-one: Human health tier I assessment
Hazard Classes and Categories
Skin Sens. 1 (13.5%)
Hazardous to the aquatic environment (Long-term) - Category 4
安全データ
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- RN9775000
- 毒性
- Both the acute oral LD50 value in rats and the acute dermal LD50 value in rabbits exceeded 5 g/kg (Levenstein, 1974).
- hs_code
- 29322090
- 化審法
- (2)-1089 優先評価化学物質
- safety_code
- 24/25
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 2
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
Cyclopentadecanolide
Angelica lactone; Cyclopentadecanolide; 15-Hydroxypentadecanoic acid, Ï-lactone; Oxacyclohexadecan-2-one; Pentadecalactone; Ï-Pentadecalactone; Pentadecanolide; Cyclopentadecanolid Supra (commercial name); Exaltex (commercial name); Exaltolide (commercial name); Macrolide (commercial name); Muskalactone (commercial name); Pentalide (commercial name); Thibetolide (commercial name)
IFRA_STD_026.pdf
49
IFRA 51st Amendment - Guidance for the use of IFRA Standards
Restriction: This material should be used only in the limited quantity as stated in the Standard
Household ProductsInformation on 44 consumer products that contain Pentadecalactone in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Cosmetics -> Masking
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
Oxacyclohexadecan-2-one: ACTIVE
Restriction Limits in the Finished Product (%)
0.42 [Products applied to the lips]
0.13 [Products applied to the axillae]
2.5 [Products applied to the face/body using fingertips]
2.4 [Products related to fine fragrances]
0.6 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.6 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
応用分野
用途化粧品?石けん香料 (NITE CHRIP)
天然物の起源Originally reported found in the essential oil from angelica roots.
使用As a fixative in perfumery.
一般的な説明Pentadecanolide is one of the major components, isolated from the root of Angelica archangelica L., species. It is a synthetic musk, which exists as a widespread contaminant in the environment.
調製方法
製造方法The main industrial syntheses start from compounds produced from cyclododecatriene: either by ring expansion of cyclododecanone or by depolymerization of polyesters of 15-hydroxypentadecanoic acid (from 1,12-dodecanediol).
純化方法It has been recrystallised from MeOH (4 parts) at -15o. [Hundieck
上流・下流製品情報
上流原料
サプライヤー100 社
国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
河北展药生物科技有限公司15369953316 +8615369953316 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉卡诺斯科技有限公司027-83238443 15327105076 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
吉良化学21-62165282 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
武汉欣扬瑞和化学科技有限公司027-83855316 18171155316
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
南京励合化学新材料有限公司025-87787262
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
山东智尚新材料有限公司+8617653113209 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
郑州阿尔法化工有限公司0371-53778726 18003825608 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
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武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
補足説明
定義本品は、15-ヒドロキシペンタデカン酸のラクトンであり、次の化学式で表される。
関連反応
25 件
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