Myaldyl acetate
基本情報
- CAS
72403-67-9- 標準SMILES
CC(=O)OC[C@H]1CCC=C(CCC=C(C)C)C1- InChIKey
IIUKCYITROTKFB-HNNXBMFYSA-N- 分子式
- C15H24O2
- 平均分子量
- 236.35 g/mol
- 単同位体質量
- 236.17763
概要
See other relationships...
名称と識別子
- 優先名称
- Myaldyl acetate
- IUPAC
- [(1S)-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetate
- 英語名
- MYRALDYL ACETATE
- 分子式
- C15H24O2
- 分子量
- 236.34986
名称と別名
Myraldyl acetateMyaldyl acetateEINECS 276-650-63(Or 4)-(4-methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-ylmethyl acetate3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-, acetate3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-, 1-acetateDTXSID5052466RefChem:819681DTXCID2031039276-650-672403-67-9
名称をさらに表示
Myraldy Acetate3-(4-methyl-3-pentenyl)-3-cyclohexene-1-methano acetate4(3)-(4-Methyl-3-pentenyl)-3-cyclohexenylmethyl acetate4-(4-methyl-3-pentenyl)-3-cyclohexene-1-methano acetate3-Cyclohexene-1-methanol,4-(4-methyl-3-pentenyl)-,acetate3(or4)-(4-methyl-3-pentenyl)-3-cyclohexene-1-methanoacetate3-Cyclohexene-1-methanol, 3-(4-methyl-3-pentenyl)-, acetate3(oder 4)-(4-Methylpenten-3-yl)cyclohex-3-en-1-methylacetat
[(1S)-3-(4-methylpent-3-enyl)cyclohex-3-en-1-yl]methyl acetateSCHEMBL3504508IIUKCYITROTKFB-HNNXBMFYSA-N
データベース識別子
- CAS
72403-67-9- PubChem CID
- 3085812
- EC Number
- 276-650-6
物性
構造計算による物性
- XLogP
- 3.7
- 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
- 6
- 重原子数
- 17
- 形式電荷
- 0
- 複雑度
- 309
実験および物理化学的性質
FragrancesFragrance Ingredient (Myraldyl acetate) -> IFRA transparency List
物理化学的性質
- 沸点
- 297 ℃ · 297℃ at 101kPa
- 比重(密度)
- 0.95 at · 0.95 at 20℃
- 蒸気圧
- 0.046 · 0.046-0.078Pa at 20-25℃
- 臭い (Odor)
- 100 %で。新鮮なユリ · 100.00%で。新鮮なユリ マグノリア スイート シトラス フリージア グリーン
- においのタイプ
- 花柄
- 化粧品成分の機能
- 香料
- LogP
- 5.6 · 5.6-5.7 at 30℃
- EPAの化学物質情報
- 3 · 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-, acetate (72403-67-9)
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 15.9% (257 of 1621) of reports.
Warning
H315 (84.1%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P273, P280, P302+P352, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1621 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-, acetate
REACH registered substance: 3(or 4)-(4-methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate (EC: 276-650-6)
3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-, acetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (84.1%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
IFRA Fragrance Standards
Myraldyl acetate
Myraldyl acetate; 3(or 4)-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate; 3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-pentenyl)-, acetate; 4(or 3)-(4-Methyl-3-pentenyl)-3-cyclohexenylmethyl acetate & isomers
IFRA_STD_258.pdf
51
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
Use ClassificationFragrance Ingredients
General Manufacturing Information3-Cyclohexene-1-methanol, 3(or 4)-(4-methyl-3-penten-1-yl)-, 1-acetate: ACTIVE
Restriction Limits in the Finished Product (%)
0.077 [Products applied to the lips]
0.023 [Products applied to the axillae]
0.46 [Products applied to the face/body using fingertips]
0.43 [Products related to fine fragrances]
0.11 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.11 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
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