γ-メチルベンゼン-1-ペンタノール

Phenylisohexanol

HCID 108312
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基本情報

CAS
55066-48-3
標準SMILES
CC(CCO)CCc1ccccc1
InChIKey
OXYRENDGHPGWKV-UHFFFAOYSA-N
分子式
C12H18O
平均分子量
178.27 g/mol
単同位体質量
178.13576519

概要

structure in first source

名称と識別子

優先名称
Phenylisohexanol
IUPAC
3-methyl-5-phenylpentan-1-ol
現地名
γ-メチルベンゼン-1-ペンタノール
英語名
1-PENTANOL, 3-METHYL-5-PHENYL
分子式
C12H18O
分子量
178.28

名称と別名

3-methyl-5-phenylpentan-1-ol55066-48-3phenoxanol3-Methyl-5-phenyl-1-pentanol3-Methyl-5-phenylpentanolPhenylisohexanolMefrosolDTXSID4044822phenylhexanolBenzenepentanol, .gamma.-methyl-gamma-MethylbenzenepentanolBenzenepentanol, 2-methyl-
名称をさらに表示
フェノキサノールγ-メチルベンゼン-1-ペンタノール3-メチル-5-フェニル-1-ペンタノール3-メチル-5-フェニルペンタン-1-オールフェニルイソヘキサノールPHENOXAL3-METHYL-5-PHENYLMethylfluoromethanolrose absolute pentanolMEFROSOL (code:8167603)2-methyl-Benzenepentanol
Benzenepentanol, gamma-methyl-EINECS 259-461-35-phenyl-3-methylpentanol3-Methyl-5-phenyl-n-pentanolDTXCID2024822M56178H183EC 259-461-3RefChem:861752

データベース識別子

CAS
55066-48-3
PubChem CID
108312
DTXSID
DTXSID4044822
ChEMBL
CHEMBL3185293
UNII
M56178H183
EC Number
259-461-3
Nikkaji
J326.737G

物性

構造計算による物性

XLogP
3.2
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
13

実験および物理化学的性質

CosmeticsMasking
FragrancesFragrance Ingredient (3-Methyl-5-phenylpentanol) -> IFRA transparency List
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionCBI; Liquid

物理化学的性質

沸点
141 · 141-143 °C(Press: 11 Torr)
比重(密度)
0.957 · 0.957±0.06 g/cm3(Predicted)
蒸気圧
0.04 Pa · 0.04Pa at 20℃
酸解離定数(Pka)
15.11 · 15.11±0.10(Predicted)
臭い (Odor)
100 %で。フレッシュフローラルローズアブソリュートゼラニウムグリーンミュゲユリハニートロピカル · 100.00%で。フレッシュフローラルローズアブソリュートゼラニウムグリーンミュゲユリハニートロピカル
においのタイプ
花柄
化学的性質 · 1 件

化学的特性1-PENTANOL, 3-METHYL-5-PHENYL is a colorless liquid, bp0.013 kPa 86–91 °C, d20 20 0.960–0.964, n20 D 1.511–1.514, with a long-lasting diffusive, fresh, floral, rose odor.The alcohol is prepared by hydrogenation of tetrahydro-4-methylene-5-phenylpyran, which is obtained by cyclocondensation of benzaldehydewith 3-methyl-3-buten-l-ol in the presence of p-toluenesulfonic acid. It can be used in all perfume types for a wide range of products, for example, soaps, detergents, and body care products.

安全と法規制

GHS分類

GHS Classification · 5 件

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1869) of reports.

Danger

H302 (87.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1869 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information · 4 件

Chemical: Benzenepentanol, .gamma.-methyl-

Benzenepentanol, .gamma.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepentanol, .gamma.-methyl- 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: 3-methyl-5-phenylpentanol (EC: 259-461-3)

Benzenepentanol, .gamma.-methyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (87.7%)

安全データ

tsca
TSCA listed
risk_code
36
hazard_code
Xi
safety_code
26

化学と産業

用途と製造

U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesOther
Household ProductsInformation on 39 consumer products that contain Phenylisohexanol in the following categories is provided:
Use Classification · 2 件

Fragrance Ingredients

Cosmetics -> Masking

General Manufacturing Information · 2 件

All Other Chemical Product and Preparation Manufacturing

Benzenepentanol, .gamma.-methyl-: ACTIVE

上流・下流製品情報

サプライヤー69 社

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Hebei baicao biology science and technology co., ltd+86-19131911055 17824879454 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
湖北成丰化工有限公司13125175253 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

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