CAS 125109-85-5 Florhydral (HCID 86209)

Names & identifiers

Preferred name: Florhydral
IUPAC: 3-(3-propan-2-ylphenyl)butanal
English name: ISOPROPYLPHENYLBUTANAL
Molecular formula: C13H18O
Molecular weight: 190.28

Names & synonyms

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

Show more names

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 174

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Boiling point: 251.3 · 251.3±9.0 °C(Predicted)
Density: 0.935 · 0.935±0.06 g/cm3(Predicted)
vapor pressure: 0.65 Pa · 0.65Pa at 20℃
storage temp.: Hygroscopic, Refrigerator, under inert atmosphere
Odor: 100 % · at 100.00 %. floral green muguet linden flower lily of the valley fresh
Odor Type: floral
Water Solubility: 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)
Cosmetics Ingredients Functions: PERFUMINGFRAGRANCE
LogP: 3.1 at · 3.1 at 35℃
EWG's Food Scores: 1 · 1
FDA UNII: 92022479 Y · Z92022479Y
EPA Substance Registry System: -3 · Benzenepropanal, .beta.-methyl-3-(1-methylethyl)- (125109-85-5)
Symbol(GHS): 9 · GHS09
Hazard statements: 411 · H411
Hazard Codes: N
Risk Statements: 51 · 51/53
Safety Statements: 61 · 61
TSCA: TSCA listed
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 5 items

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 items

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

Regulatory information

Regulatory Information · 5 items

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.

Safety data

tsca: TSCA listed
risk_code: 51/53
Symbol(GHS): GHS09
hazard_code: N
safety_code: 61
Hazard statements: H411
REACH Registrations: Active

Chemistry & industry

Uses & manufacturing

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 items

Fragrance Ingredients

Cosmetics -> Masking

General Manufacturing Information · 2 items

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

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