CAS 125109-85-5 Florhydral (HCID 86209)

名称と識別子

優先名称: Florhydral
IUPAC: 3-(3-propan-2-ylphenyl)butanal
現地名: 3-（3-イソプロピルフェニル）ブタナール
英語名: ISOPROPYLPHENYLBUTANAL
分子式: C13H18O
分子量: 190.28

名称と別名

Isopropylphenylbutanal125109-85-5Florhydral3-(3-Isopropylphenyl)butanalbeta-Methyl-3-(1-methylethyl)benzenepropanalDTXSID7051632Z92022479YBenzenepropanal, beta-methyl-3-(1-methylethyl)-RefChem:149863DTXCID8030184412-050-4FlorhydralR

名称をさらに表示

3-（3-イソプロピルフェニル）ブタナールβ-メチル-3-イソプロピルベンゼンプロパナールフロルヒドラルフロルヒドラール3-[3-(プロパン-2-イル)フェニル]ブタナールFlorhydraFlorhydral 87542433-(3-Isopropylphenyl) butanalISOPROPYLPHENYLBUTANAL USP/EP/BP3-[3-(1-Methylethyl)-phenyl]-butanal

3-(3-propan-2-ylphenyl)butanalBenzenepropanal, .beta.-methyl-3-(1-methylethyl)-(S)--Methyl-3-(1-methylethyl)benzenepropanalfloral butanalUNII-Z92022479Y(R)--Methyl-3-(1-methylethyl)benzenepropanalButanal, 3-(3-(1-methylethyl)phenyl)-EC 412-050-4

データベース識別子

CAS: 125109-85-5
PubChem CID: 86209
DTXSID: DTXSID7051632
UNII: Z92022479Y
EC Number: 412-050-4、641-004-8
Nikkaji: J1.563.138D

物性

構造計算による物性

XLogP: 3.1
極性表面積: 17.1 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 14
形式電荷: 0
複雑度: 174

実験および物理化学的性質

Physical DescriptionLiquid

物理化学的性質

沸点: 251.3 · 251.3±9.0 °C(Predicted)
比重(密度): 0.935 · 0.935±0.06 g/cm3(Predicted)
蒸気圧: 0.65 Pa · 0.65Pa at 20℃
貯蔵温度: Hygroscopic, Refrigerator, under inert atmosphere
臭い (Odor): 100 %で。花 · 100.00%で。花緑ミュゲリンデンの花スズラン新鮮な
においのタイプ: 花柄
水溶解度: 40 mg/L · 40mg/L at 20℃
Henry's Law Constant: 4.9 · 4.9×10-1 mol/(m3Pa) at 25℃, Dupeux et al. (2022)
化粧品成分の機能: 香料香料
LogP: 3.1 at · 3.1 at 35℃
EPAの化学物質情報: -3 · Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- (125109-85-5)

化学的性質 · 1 件

化学的特性ISOPROPYLPHENYLBUTANAL is a clear colorless to pale yellow liquid with a powerful fresh, green, floral, lily-of-the-valley-like odor. It is recommended for use in all areas of perfumery. The preparation is effected by hydroformylation of 1,3-diisopropenylbenzene and subsequent hydrogenation.

安全と法規制

GHS分類

GHS Classification · 6 件

H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P273, P391, and P501 (click each P-code to see the statement)

危険有害性情報

Regulatory Information · 5 件

Chemical: Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30111；Status: No longer Valid Update: 10-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6040；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9059

Î²-Methyl-3-(1-methylethyl)benzenepropanal: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 4 件

Aquatic Chronic 2 (100%)

Skin Irrit. 2 (32.5%)；Aquatic Chronic 2 (67.5%)

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

法規制情報

Regulatory Information · 5 件

Chemical: Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-；Specific Information Requirement: Obligations to provide information apply. You must tell us within 28 days if the circumstances of your importation or manufacture (introduction) are different to those in our assessment.

Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 31-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30111；Status: No longer Valid Update: 10-05-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/6040；Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/9059

Î²-Methyl-3-(1-methylethyl)benzenepropanal: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

安全データ

tsca: TSCA listed
risk_code: 51/53
化審法: 新規公示化学物質（2011年4月1日以降届出）
hazard_code: N
safety_code: 61

化学と産業

用途と製造

U.S. Production2023: 8,797,521 lb；2022: 9,035,083 lb；2021: 9,262,314 lb；2020: 9,790,752 lb

Consumer UsesFragrance

Industry UsesFragrance

Household ProductsInformation on 39 consumer products that contain Isopropylphenylbutanal in the following categories is provided:；• Auto Products；• Commercial / Institutional；• Inside the Home

Use Classification · 2 件

Fragrance Ingredients

Cosmetics -> Masking

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing；All Other Chemical Product and Preparation Manufacturing

Benzenepropanal, .beta.-methyl-3-(1-methylethyl)-: ACTIVE