基本情報
- CAS
101-85-9- 標準SMILES
CCCCC/C(=C/c1ccccc1)CO- InChIKey
LIPHCKNQPJXUQF-KAMYIIQDSA-N- 分子式
- C14H20O
- 平均分子量
- 204.31 g/mol
- 単同位体質量
- 204.15141526
名称と識別子
- 優先名称
- 2-Pentyl-3-phenylprop-2-en-1-ol
- IUPAC
- (2Z)-2-benzylideneheptan-1-ol
- 現地名
- 2-ベンジリデンヘプタン-1-オール
- 英語名
- ALPHA-AMYLCINNAMYL ALCOHOL
- 分子式
- C14H20O
- 分子量
- 204.31
名称と別名
2-Benzylideneheptanolalpha-Pentylcinnamyl alcohol2-Pentyl-3-phenylprop-2-en-1-olRefChem:4778882-benzylideneheptan-1-ol101-85-9alpha-Amylcinnamyl alcohol(2Z)-2-benzylideneheptan-1-ol943517-69-9(2Z)-2-(Phenylmethylene)-1-heptanol1-Heptanol, 2-(phenylmethylene)-, (2Z)-2-Amyl-3-phenyl-2-propen-1-ol
名称をさらに表示
ブキシノール2-ペンチル-3-フェニル-2-プロペン-1-オール2-ベンジリデン-1-ヘプタノール2-ベンジリデンヘプタン-1-オールアミルシンナミルアルコールΑ-アミルシンナミルアルコールアミルシンナミルアルコール(MIXTURE)アミルシンナミルアルコール, 1000 µg/mL in Ethanol2-(フェニルメチリデン)ヘプタン-1-オールFEMA 2065α-Amylcinnamyl Alcohol2-BENZYLIDENE-1-HEPTANOLalpha-Amylcinnamic alcoholalpha-Amylcinnamyl alcohol solutionSKL068BUXINOL
36J0A47E6X2-(Phenylmethylene)-1-heptanol1-Heptanol, 2-(phenylmethylene)-(2E)-2-Pentyl-3-phenyl-2-propen-1-ola-amylcinnamyl alcohol2-Pentyl-3-phenyl-2-propen-1-olAmyl cinnamic alcohol|A-Amylcinnamyl alcohol
データベース識別子
- CAS
101-85-9、943517-69-9- PubChem CID
- 6076971
- ChEMBL
CHEMBL3182479- UNII
- 36J0A47E6X
- EC Number
- 202-982-8
物性
構造計算による物性
- XLogP
- 4.4
- 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
- 6
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 178
実験および物理化学的性質
CosmeticsCosmetics ingredient -> Base; Flavor; Fragrance
Fragrances
Fragrance substance (alpha-Amyl cinnamic alcohol) -> IFRA amendment 49
Fragrance Ingredient (alpha-Amylcinnamyl alcohol) -> IFRA transparency List
Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density0.954-0.962
Flavoring AgentsEU Flavoring substances
Solubility
insoluble in water
miscible (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point
141.00 to 143.00 °C. @ 5.00 mm Hg
141 °C (5 mm Hg)
Refractive Index1.533-1.540
Physical DescriptionColourless to slightly yellow liquid, light floral note
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
Warning
H315 (87.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 318 reports by companies from 5 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: 1-Heptanol, 2-(phenylmethylene)-
Hazard Traits - Fragrance Allergen
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Amyl cinnamyl alcohol: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Data-poor fragrance chemicals: Environment tier II assessment
Hazard Classes and CategoriesSkin Irrit. 2 (87.4%)
安全データ
- F
- 10-23
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- MJ3280000
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- 毒性
- LD50 orl-rat: 4000 mg/kg FCTXAV 12,807,74
- hs_code
- 2918195000
- risk_code
- 36
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
薬理情報
Cellular LocationsMembrane
用途と製造
IFRA Fragrance Standards
alpha-Amyl cinnamic alcohol
Amylcinnamyl alcohol; α-Amylcinnamyl alcohol; 2-Amyl-3-phenyl-2-propen-1-ol; 2-Benzylideneheptanol; 1-Heptanol, 2-(phenylmethylene)-; α-Pentylcinnamyl alcohol
IFRA_STD_004.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 Products
Cosmetics product ingredient: 2-Pentyl-3-phenylprop-2-en-1-ol (AMYLCINNAMYL ALCOHOL)
Information on 37 consumer products that contain Amylcinnamyl Alcohol in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information1-Heptanol, 2-(phenylmethylene)-: ACTIVE
Restriction Limits in the Finished Product (%)
0.27 [Products applied to the lips]
0.08 [Products applied to the axillae]
0.64 [Products applied to the face/body using fingertips]
1.5 [Products related to fine fragrances]
0.38 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.32 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
応用分野
関連反応
0 件
現在のフィルター条件では反応記録がありません。
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