Phenylisohexanol

HCID 108312
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Grundinformationen

CAS
55066-48-3
Standard-SMILES
CC(CCO)CCc1ccccc1
InChIKey
OXYRENDGHPGWKV-UHFFFAOYSA-N
Summenformel
C12H18O
Durchschnittliche Molmasse
178,27 g/mol
Monoisotopische Masse
178,13576519

Überblick

structure in first source

Namen und Bezeichner

Bevorzugter Name
Phenylisohexanol
IUPAC
3-methyl-5-phenylpentan-1-ol
Englischer Name
1-PENTANOL, 3-METHYL-5-PHENYL
Summenformel
C12H18O
Molmasse
178.28

Namen und Synonyme

3-methyl-5-phenylpentan-1-ol55066-48-3phenoxanol3-Methyl-5-phenyl-1-pentanol3-Methyl-5-phenylpentanolPhenylisohexanolMefrosolDTXSID4044822phenylhexanolBenzenepentanol, .gamma.-methyl-gamma-MethylbenzenepentanolBenzenepentanol, 2-methyl-
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,2
Polarare Oberfläche (TPSA)
20,2 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
5
Schwere Atome
13

Experimentelle und physikochemische Eigenschaften

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

Physikochemische Eigenschaften

Siedepunkt
141 · 141-143 °C(Press: 11 Torr)
Dichte
0.957 · 0.957±0.06 g/cm3(Predicted)
Dampfdruck
0.04 Pa · 0.04Pa at 20℃
pka
15.11 · 15.11±0.10(Predicted)
Geruch (Odor)
100 % · at 100.00 %. fresh floral rose absolute geranium green muguet lily honey tropical
Geruchsart
floral

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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%)

Sicherheitsdaten

tsca
TSCA listed
risk_code
36
hazard_code
Xi
safety_code
26

Chemie und Industrie

Verwendung und Herstellung

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 Einträge

Fragrance Ingredients

Cosmetics -> Masking

General Manufacturing Information · 2 Einträge

All Other Chemical Product and Preparation Manufacturing

Benzenepentanol, .gamma.-methyl-: ACTIVE

Vor- und nachgelagerte Produkte

Anbieter69 Anbieter

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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