基本情報
- CAS
18479-58-8- 標準SMILES
C=CC(C)CCCC(C)(C)O- InChIKey
XSNQECSCDATQEL-UHFFFAOYSA-N- 分子式
- C10H20O
- 平均分子量
- 156.26 g/mol
- 単同位体質量
- 156.15141526
概要
Dihydromyrcenol is a monoterpenoid that is oct-7-en-2-ol substituted by methyl groups at positions 2 and 6 respectively. It has a role as a metabolite and a fragrance. It is a monoterpenoid and a tertiary alcohol.
名称と識別子
- 優先名称
- Dihydromyrcenol
- IUPAC
- 2,6-dimethyloct-7-en-2-ol
- 現地名
- (R)-2,6-ジメチル-7-オクテン-2-オール
- 英語名
- Dihydromyrcenol
- 分子式
- C10H20O
- 分子量
- 156.27
名称と別名
Dihydromyrcenol2,6-Dimethyloct-7-en-2-ol2,6-Dimethyl-7-octen-2-ol1,1,5-trimethyl-6-heptenol7-OCTEN-2-OL, 2,6-DIMETHYL-DTXSID8029317BRN 1840872Myrcenol, 6,10-dihydroEINECS 242-362-4EINECS 246-787-6(1)-2,6-Dimethyloct-7-en-2-olUNII-46L1B02ND9
名称をさらに表示
(R)-2,6-ジメチル-7-オクテン-2-オールジヒドロミルセロールジヒドロ-2-メチル-6-メチレンオクタ-7-エン-2-オールDIHYDROMERCENOLDihydrolaurenolDihydrop Myrcenol2-Methyl-6-methylene-2-octanolDITHDRO MYRCENOLDIHYDROMYRCENOL(SG)Dihydro myrcene alcohol(R)-2,6-Dimethyl-7-octen-2-ol2-Methyl-6-methylideneoctan-2-oldihydromyrcenol dihydro derivative
DTXCID6093172,6-Dimethyl-oct-7-en-2-olCHEBI:87528EC 242-362-4DTXSID6041557RefChem:1338872,6-DIMETHYL-7-OCTEN-2-OL [INCI](6S)-2,6-dimethyloct-7-en-2-ol
データベース識別子
物性
構造計算による物性
- XLogP
- 2.9
- 極性表面積
- 20.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 1
- 回転可能結合数
- 5
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 116
実験および物理化学的性質
CosmeticsSolvent
FragrancesFragrance Ingredient (Dihydromyrcenol) -> IFRA transparency List
Flavoring AgentsEU Flavoring substances
Physical DescriptionDry Powder; Liquid; Liquid; Liquid; Other Solid; CBI
物理化学的性質
- 沸点
- 91 °C · 91 °C(Press: 10 Torr)
- 色
- 無色のやや粘り気のあるオイル
- CAS データベース
- 53219 · 53219-21-9
- EPAの化学物質情報
- 7 · 7-Octen-2-ol, 2-methyl-6-methylene-, dihydro deriv. (53219-21-9)
化学的性質
化学的特性Clear Colorless liquid, insoluble in water, soluble in 4-6 volumes of 55% ethanol or 1-2 volumes of 70% ethanol, also soluble in oily fragrances. The aroma is sweet and powerful, with fresh and spicy citrus, pine and cypress, lavender, fruity, floral, sweet and sour aromas, and has white lemon and cologne flavors.
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 4.6% (113 of 2466) of reports.
Warning
H315 (74.6%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 2466 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 22.2% (40 of 180) of reports.
危険有害性情報
Regulatory Information
Chemical: 7-Octen-2-ol, 2,6-dimethyl-
Chemical: 7-Octen-2-ol, 2-methyl-6-methylene-, dihydro derivative
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
7-Octen-2-ol, 2,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 7-Octen-2-ol, 2,6-dimethyl- 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)
REACH registered substance: 2,6-dimethyloct-7-en-2-ol (EC: 242-362-4)
Dihydromyrcenol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (18.3%)
Skin Irrit. 2 (74.6%)
安全データ
- tsca
- TSCA listed
- 毒性
- The acute oral LD50 in rats was reported as 3.6 g/kg (3.0-4.2 g/kg) (Mor eno, 1973). The acute dermal LD50 value in rabbits exceeded 5 g/kg (Moreno, 1973).
- risk_code
- 36
- hazard_code
化学と産業
用途と製造
U.S. Production2023: 10,000,000 - <25,000,000 lb
Consumer UsesFragrance
Industry UsesDeodorizer
Household ProductsInformation on 602 consumer products that contain 2,6-Dimethyl-7-Octen-2-Ol in the following categories is provided:
Use Classification
Fragrance Ingredients
Cosmetics -> Solvent
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
7-Octen-2-ol, 2,6-dimethyl-: ACTIVE
応用分野
説明Dihydromyrcenol is a colorless liquid with a fresh citrus-like odor and a lavender note. It is obtained from 3,7-dimethyl-1,6- octadiene (citronellene), the pyrolysis product of cis-pinane and can be prepared by three different processes: (i) by addition of hydrogen chloride and subsequent hydrolysis of the resulting 2,6-dimethyl-2-chloro-7-octene; or (ii) by addition of formic acid and subsequent saponification of the resulting dihydromycrenyl formate; or (iii) by direct hydroxylation with 60–80% sulfuric acid.Dihydromyrcenol is used in fine fragrances as well as in soap and detergent perfumes for fresh lime and citrus-like floral notes.
天然物の起源Has apparently not been reported to occur in nature.
使用Dihydromyrcenol is an organic compound from the group of the acyclic terpenoidal alcohols. It is a fragrance with a powerful, fresh, lavender like, sweet citrus and floral fragrance, which is synthetically prepared. The pure substance appears as a colorless viscous liquid, which is practically insoluble in water.
調製方法
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