Basic information
- CAS
1205-17-0- Standard SMILES
CC(C=O)Cc1ccc2c(c1)OCO2- InChIKey
BOPPSUHPZARXTH-UHFFFAOYSA-N- Molecular formula
- C11H12O3
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.07864424
Overview
a widely used fragrance ingredient; structure in first source
Names & identifiers
- Preferred name
- 3-(3,4-Methylenedioxyphenyl)-2-methylpropanal
- IUPAC
- 3-(1,3-benzodioxol-5-yl)-2-methylpropanal
- English name
- 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal
- Molecular formula
- C11H12O3
- Molecular weight
- 192.21
Names & synonyms
1205-17-0Helional2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal2-Methyl-3-(3,4-methylenedioxyphenyl)propionaldehydeTropionalHeliobouquetHelipropanal3-(3,4-methylenedioxyphenyl)-2-methylpropanalocean propanal1,3-Benzodioxole-5-propanal, .alpha.-methyl-DTXSID7043908UNII-L65EG8H6PA
Show more names
FloramelonHelioganα-methyl-1,3-benzodioxole-5-propionaldehydealpha-methyl-1,3-benzodioxole-5-propionaldehydeHelional[IFF]1,3-Benzodioxole-5-propanal, α-methyl-
1,3-Benzodioxole-5-propanal, alpha-methyl-EINECS 214-881-6alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehydeNSC 22282NSC-222823-(3,4-Methylenedioxyphenyl)-2-methyl-propanolalpha-Methyl-1,3-benzodioxole-5-propanal.alpha.-Methyl-3,4-methylenedioxy-hydrocinnamic aldehyde
Database identifiers
- CAS
1205-17-0- PubChem CID
- 64805
- DTXSID
DTXSID7043908- ChEMBL
CHEMBL3183457- UNII
- L65EG8H6PA
- EC Number
- 214-881-6
- Nikkaji
- J217.049C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
Fragrances
Fragrance substance (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)) -> IFRA amendment 49
Fragrance Ingredient (alpha-Methyl-1,3-benzodioxole-5-propionaldehyde) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.158-1.169
Solubility
Insoluble
soluble (in ethanol)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point134-135 °C
Refractive Index1.529-1.539
Physical Description
Liquid; CBI
Pale yellow to yellow clear oily liquid / Floral, fresh, melon, ozone, marine aroma
Physicochemical properties
- Boiling point
- 282 °C · 282 °C(lit.)
- Density
- 1.162 g/mL · 1.162 g/mL at 25 °C(lit.)
- vapor pressure
- 0.092 Pa · 0.092Pa at 23℃
- refractive index
- 20 · n20/D 1.5335(lit.)
- FEMA
- 4599 · 4599 | 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- solubility
- soluble in Chloroform, Ethyl Acetate
- form
- clear liquid
- color
- Light orange to Yellow to Green
- Odor
- 100 % · at 100.00 %. watery fresh green ozone cyclamen hay
- Odor Type
- floral
- Water Solubility
- 934 mg/L · 934mg/L at 20℃
- JECFA Number
- 2212 · 2212
- Cosmetics Ingredients Functions
- SKIN CONDITIONING - MISCELLANEOUSPERFUMINGFRAGRANCE
- InChIKey
- BOPPSUHPZARXTH-UHFFFAOYSA-N
- LogP
- 2.4 at · 2.4 at 25℃
- CAS DataBase Reference
- 1205 · 1205-17-0(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 3 · 3-(3,4-METHYLENEDIOXYPHENYL)-2-METHYLPROPANAL
- FDA UNII
- 65 EG8H6PA · L65EG8H6PA
- NIST Chemistry Reference
- 1 · 1,3-Benzodioxole-5-propanal, «alpha»-methyl-(1205-17-0)
- EPA Substance Registry System
- 1 · 1,3-Benzodioxole-5-propanal, .alpha.-methyl- (1205-17-0)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 2 · 2
- RTECS
- 4922185 · DF4922185
- TSCA
- TSCA listed
- HS Code
- 29124990 · 29124990
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (42.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1,3-Benzodioxole-5-propanal, .alpha.-methyl-
1,3-Benzodioxole-5-propanal, .alpha.-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzodioxole-5-propanal, .alpha.-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)
Status: Active Update: 09-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/20444
Helional: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (42.3%)
Skin sensitization - Category 1B
Skin Sens. 1B
Safety data
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- DF4922185
- hs_code
- 29124990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 8,500,000 - <10,000,000 lb
Consumer UsesFragrance
Industry UsesFragrance
IFRA Fragrance Standards
alpha-Methyl-1,3-benzodioxole-5-propionaldehyde (MMDHCA)
1,3-Benzodioxole-5-propanal, α-methyl-; 3-(1,3-Benzodioxol-5-yl)-2-methylpropanal; 2-Methyl-3-(3,4-methylenedioxyphenyl)- propionaldehyde; 2-Methyl-3-(3,4-methylenedioxyphenyl)propanal; α-Methyl-3,4-(methylenedioxy)-hydrocinnamaldehyde; α-Methyl-1,3-benzodioxole-5-propanal; α-Methyl-1,3-benzodioxole-5-propionaldehyde; 3-(3,4-Methylenedioxyphenyl)-2-methylpropanal; α-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde; Heliofolal (commercial name); Heliogan (commercial name); Helional (commercial name); Tropional (commercial name)
IFRA_STD_059.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 ProductsInformation on 81 consumer products that contain Methylenedioxyphenyl Methylpropanal in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing Information
Soap, Cleaning Compound, and Toilet Preparation Manufacturing
1,3-Benzodioxole-5-propanal, .alpha.-methyl-: ACTIVE
Restriction Limits in the Finished Product (%)
0.12 [Products applied to the lips]
0.25 [Products applied to the axillae]
0.039 [Products applied to the face/body using fingertips]
2.6 [Products related to fine fragrances]
0.39 [Products applied to the body using the hands (palms), primarily leave-on (Body lotion)]
0.077 [Products applied to the face using the hands (palms), primarily leave-on (Face moisturizer)]
Applications
Uses2-Methyl-3-(3,4-methylenedioxyphenyl)-propanal is an aromatic aldehyde that was used in the investigation of human olfactory receptor 17-40 as an active part of a nanobiosensor.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
天津中信凯泰化工有限公司022-66880623 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
吉良化学21-62165282 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
Hebei shenghao import and export trade co. LTD+8618431136903
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Hebei Qige Biological Technology Co. Ltd+86 +8618733132031
河南多贝化工有限公司0370-2785118 17550508557 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西帕尼尔生物科技有限公司13720616393；029-84385017-8003 13720616393 · [email protected]
吉水县益康天然香料油提炼厂0796-8128936 19070600085
Xunteng International Trading Co.,Limited—
苏州丽品化学有限公司0512-0512-67509664 19888480046
上海湄水化工科技有限公司021-60549325 18616193163
上海石洋化工有限公司021-56795766 · [email protected]
明科实业（上海）有限公司+86-021-20980300 +86-13167252998 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
北京市斯旺达康科贸有限公司010-57203829
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
石家庄通洋进出口有限公司[email protected]
郑州科豫隆化工产品有限公司17319789407 17319789407 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
5 records
Compound notes
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