아니스일 알코올

4-Methoxybenzyl alcohol

HCID 7738CAS 105-13-5

기본 정보

표준 SMILES
COc1ccc(CO)cc1
InChIKey
MSHFRERJPWKJFX-UHFFFAOYSA-N
분자식
C8H10O2
평균 분자량
138.16 g/mol
단동위원소 질량
138.06807956

이름 및 식별자

우선 이름
4-Methoxybenzyl alcohol
IUPAC
(4-methoxyphenyl)methanol
현지명
아니스일 알코올
영어명
4-Methoxybenzyl alcohol
분자식
C8H10O2
분자량
138.16

이름 및 동의어

4-METHOXYBENZYL ALCOHOL105-13-5(4-Methoxyphenyl)methanolAnise alcoholAnisyl alcoholp-Methoxybenzyl alcoholBenzenemethanol, 4-methoxy-4-MethoxybenzenemethanolBenzyl alcohol, p-methoxy-FEMA No. 2099DTXSID60443577N6XGV3U49
이름 더 보기
아니스일알코올아니스일알코올아니스알코올PMBOHFEMA 2099P-ANISIC ALCOHOLANISALKOHOLMETHOXYBENZYL ALCOHOL
NSC-2151para-methoxybenzyl alcoholDTXCID4024357RefChem:558133203-273-6NT090XT6TEp-Anisyl alcoholAnisic alcohol

데이터베이스 식별자

CAS
105-13-5、1331-81-3
PubChem CID
7738
DTXSID
DTXSID6044357
ChEMBL
CHEMBL294431
ChEBI
CHEBI:193647
UNII
7N6XGV3U49
EC Number
203-273-6
Nikkaji
J4.028B

물성

구조 계산 물성

XLogP
1.1
극성 표면적
29.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
10

실험 및 물리화학적 성질

LogP1.10
Density · 2건

1.107-1.115

1.108 @25 °C

Solubility · 3건

2 mg/mL at 20 °C

insoluble in water; poorly soluble in glycols, glycerol; soluble in organic solvents, oils

miscible above 20� (in ethanol)

Boiling Point · 3건

259.00 to 260.00 °C. @ 760.00 mm Hg

259 °C

259.1 °C @760 [mm Hg]

Melting Point · 2건

24 - 25 °C

25 °C

Vapor Pressure0.0038 [mmHg]

물리화학적 성질

녹는점
22 · 22-25 °C (lit.)
끓는 점
259 °C · 259 °C (lit.)
밀도
1.113 g/mL · 1.113 g/mL at 25 °C (lit.)
증기압
0.24 · 0.24-0.53Pa at 25℃
FEMA
2099 · 2099 | ANISYL ALCOHOL
굴절률
20 · n20/D 1.544(lit.)

화학적 성질

CLEAR COLOURLESS TO YELLOWISH LIQUID AFTER MELTING

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (97.3%): Harmful if swallowed [Warning Acute toxicity, oral];H317 (95.5%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (91.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2001 reports by companies from 21 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory Information · 6건

Chemical: Benzenemethanol, 4-methoxy-

Hazard Traits - Fragrance Allergen;Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens;Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzenemethanol, 4-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, 4-methoxy- 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: 03-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16802;Status: Active Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12125

4-Methoxybenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Benzenemethanol, 4-methoxy-: Human health tier II assessment;IMAP assessments - Benzenemethanol, 4-methoxy-: Environment tier I assessment
Hazards Summary · 1건

A moderate skin irritant; Oral LD50 (rat) = 1,200 uL/kg; [RTECS] Included in list of established contact allergens in humans; [EC: Scientific Committee on Consumer Safety: Fragrance allergens in cosmetic products (2011)] Safe when used as a flavoring agent in food; [JECFA] May cause serious eye injury; Harmful by ingestion; [ECHA REACH Registrations] A skin and strong eye irritant; Toxic by ingestion; [Alfa Aesar MSDS]

Hazard Classes and Categories · 2건

Acute Tox. 4 (97.3%);Skin Sens. 1B (95.5%);Eye Dam. 1 (91.5%)

Acute toxicity - category 4;Eye irritation - category 2A;Skin sensitisation - category 1

안전 및 보호

Protective Action Criteria (PAC) · 3건

4.0 [mg/m3]

44 [mg/m3]

260 [mg/m3]

독성 정보

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.

규제 정보

Regulatory Information · 6건

Chemical: Benzenemethanol, 4-methoxy-

Hazard Traits - Fragrance Allergen;Authoritative List - Annex III of the EU Cosmetics Regulation No. 1223/2009 - Fragrance Allergens;Report - if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million)

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Benzenemethanol, 4-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenemethanol, 4-methoxy- 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: 03-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/16802;Status: Active Update: 25-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/12125

4-Methoxybenzyl alcohol: Does not have an individual approval but may be used under an appropriate group standard

안전 데이터

wgk
1
tsca
TSCA listed
rtecs
DO8925000
ridadr
UN1230 - class 3 - PG 2 - Methanol, solution
독성
LD50 orally in rats: 1.2 ml/kg (Woodart)
HS 번호
29094990

화학 및 산업

약리 정보

Cellular LocationsCytoplasm;Extracellular

용도 및 제조

UsesUsed as a flavoring agent; [FDA] Used to make perfumes, fragrances, fine chemicals, pharmaceuticals, photo-chemicals, cosmetics, and personal care products; [ECHA REACH Registrations]
U.S. Production2023: 14,881 lb;2022: 4,960 lb;2021: 3,968 lb;2020: 67,956 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
IFRA Fragrance Standards · 6건

Anisyl alcohol

Anisalcohol; Anise alcohol; Anisic alcohol; Benzyl alcohol, p-methoxy; p-Methoxybenzyl alcohol

IFRA_STD_006.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 Products · 3건

Cosmetics product ingredient: 4-Methoxybenzyl alcohol (ANISE ALCOHOL);Anise alcohol is a fragrance allergen. Fragrance allergens are hazardous only to individuals who suffer from fragrance allergies. The Cosmetic Fragrance and Flavor Ingredient Right to Know Act of 2020 requires fragrance allergens included in Annex III of the EU Cosmetics Regulation No. 1223/2009 be reported to the California Department of Public Health. Fragrance allergens are only required to be reported if present in a rinse-off cosmetic product at a concentration at or above 0.01 percent (100 parts per million) or in a leave-on cosmetic product at a concentration at or above 0.001 percent (10 parts per million).;For more information, you can visit the fragrance allergens webpage on the California Safe Cosmetics Program website:;https://www.cdph.ca.gov/Programs/CCDPHP/DEODC/OHB/CSCP/Pages/FragranceAllergens.aspx;Product count: 1313

Information on 44 consumer products that contain Anisyl alcohol in the following categories is provided:;• Auto Products;• Commercial / Institutional;• Inside the Home;• Personal Care

Information on 1 consumer products that contain Anisyl alcohol in the following categories is provided:;• Auto Products

응용 분야

출처Reported found in anise (Pimpinella anisum L.), honey, Bourbon vanilla (Vanilla planifolia Andrews), Tahiti vanilla (Vanilla tahitensis Moore), Illicium verum and tomato.

일반 설명Anisyl alcohol is a volatile aromatic compound mainly found in vanilla extracts and anise oil. It is used as a flavoring agent and fragrance ingredient.

제조 방법

By reduction from anisic aldehyde

공급사50 곳

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]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

관련 반응

323건

연결된 노트

불러오는 중…